SCHEMBL8537730

SCHEMBL8537730

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TSHR P16473 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
SCHEMBL8538536 0.89 ALDH1A1 (0.40) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL14674752 0.74 ALDH1A1 (0.50) ALDH1A1PKMTP53HDAC3HDAC4
SCHEMBL31723955 0.74 LMNA (0.40) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL25267754 0.70 ALDH1A1 (0.39) ALDH1A1PKM
SCHEMBL25267755 0.70 ALDH1A1 (0.39) ALDH1A1PKM
SCHEMBL31723979 0.69 LMNA (0.39) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL30773222 0.69 ALDH1A1 (0.49) ALDH1A1PKMTP53HDAC3HDAC4
SCHEMBL6565960 0.69 HDAC3 (0.40) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL8530125 0.68 ALDH1A1 (0.51) ALDH1A1PKMTP53HDAC3HDAC4
SCHEMBL1251744 0.68 ALDH1A1 (0.41) ALDH1A1PKMTSHR

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 23 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-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
WO-1990008185-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSPECIFIC CATALYSIS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-07-26 WO 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