SCHEMBL8538536

SCHEMBL8538536

O=C(Cl)CCC(C(=O)Cl)N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8537730 0.89 ALDH1A1 (0.38) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL25267755 0.73 ALDH1A1 (0.39) ALDH1A1PKMLMNACA12CA1
SCHEMBL25267754 0.73 ALDH1A1 (0.39) ALDH1A1PKMLMNACA12CA1
SCHEMBL1333228 0.72 ALDH1A1 (0.56) ALDH1A1PKMCYP1A2CYP2C19HDAC3
SCHEMBL631270 0.72 ALDH1A1 (0.56) ALDH1A1PKMCYP1A2CYP2C19HDAC3
SCHEMBL21820033 0.70 LMNA (0.41) ALDH1A1PKMCYP1A2CYP2C19LMNA
SCHEMBL1226562 0.69 ALDH1A1 (0.54) ALDH1A1PKMCYP1A2CYP2C19LMNA
SCHEMBL106484 0.69 ALDH1A1 (0.42) ALDH1A1PKMLMNAHDAC3HDAC4
Ethylene Glycol SCHEMBL29002151 0.68 ALDH1A1 (0.51) ALDH1A1PKMCYP1A2CYP2C19HDAC3
SCHEMBL14674752 0.66 ALDH1A1 (0.50) ALDH1A1PKMCYP1A2CYP2C19LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512074-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS SCRIPPS RESEARCH INST (US) 1998-07-22 EP disclosed
EP-0666905-A4 MOLECULES WITH ANTIBODY COMBINING SITES THAT INDUCE ASYMMETRY. SCRIPPS RESEARCH INST (US) 1996-07-24 EP disclosed
US-5444155-A Paratope-containing; immunoreact with a meso diester substrate ligand and catalytically hydrolyze a single predetermined ester bond to form one of a pair of enantiomers THE SCRIPPS RESEARCH INSTITUTE (US) 1995-08-22 US disclosed
EP-0666905-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT INDUCE ASYMMETRY THE SCRIPPS RESEARCH INSTITUTE (US) 1995-08-16 EP disclosed
EP-0454778-A4 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSPECIFIC CATALYSIS 1993-10-06 EP disclosed
US-5250426-A Catalytic hydrolysis using monoclonal antibodies THE SCRIPPS RESEARCH INSTITUTE (US) 1993-10-05 US disclosed
US-5248611-A ENANTIOMORPHS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-09-28 US disclosed
EP-0512074-A4 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS 1993-07-14 EP disclosed
EP-0260939-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT CATALYTIC PROPERTIES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-04-28 EP disclosed
WO-1993005146-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT INDUCE ASYMMETRY THE SCRIPPS RESEARCH INSTITUTE (US) 1993-03-18 WO disclosed
US-5126258-A Hydrolysis of polypeptides at predetermined site SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-06-30 US disclosed
US-5079152-A ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSELECTIVE SYNTHASE ACTIVITY, AND METHODS USING THE SAME SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-01-07 US disclosed
EP-0454778-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSPECIFIC CATALYSIS THE SCRIPPS RESEARCH INSTITUTE (US) 1991-11-06 EP disclosed
WO-1991011512-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-08-08 WO disclosed
US-5030717-A Binding site which bind to reactant ligand, stabilization SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-07-09 US disclosed
EP-0315680-A4 ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSELECTIVE SYNTHASE ACTIVITY, AND METHODS USING THE SAME 1990-09-19 EP disclosed
US-4900674-A Antibody combining sites that exhibit amide or ester synthase activity SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-13 US disclosed
EP-0315680-A1 ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSELECTIVE SYNTHASE ACTIVITY, AND METHODS USING THE SAME SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-05-17 EP disclosed
WO-1988009380-A1 ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSELECTIVE SYNTHASE ACTIVITY, AND METHODS USING THE SAME SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-12-01 WO disclosed
EP-0260939-A2 Molecules with antibody combining sites that exhibit catalytic properties SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-03-23 EP disclosed