SCHEMBL7705952

SCHEMBL7705952

COc1ccc(C(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.56
CES2 O00748 2/20 0.56
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ALDH1A1 P00352 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
HSPD1 P10809 1/20 0.46

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
SCHEMBL11819944 0.81 CES1 (0.50) CES1CES2CA1CA2ALDH1A1
SCHEMBL9618568 0.80 CES1 (0.77) CES1CES2CA1CA2ALDH1A1
SCHEMBL16158157 0.80 CES1 (0.56) CES1CES2CA1CA2ALDH1A1
SCHEMBL17080312 0.78 CES1 (0.58) CES1CES2CA1CA2ALDH1A1
SCHEMBL28993094 0.78 CES1 (0.53) CES1CES2CA1CA2ALDH1A1
SCHEMBL16626105 0.78 CES1 (0.53) CES1CES2CA1CA2ALDH1A1
SCHEMBL6203510 0.77 CES1 (0.56) CES1CES2CA1CA2ALDH1A1
SCHEMBL11819939 0.75 CES1 (0.50) CES1CES2CA1CA2ALDH1A1
SCHEMBL12260648 0.75 CES1 (0.58) CES1CES2CA1CA2ALDH1A1
SCHEMBL8824303 0.73 CA1 (0.67) CES1CES2CA1CA2ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068275-A1 METHODS OF USING A CHIMERIC NUCLEIC ACID/NUCLEIC ACID ANALOGUE MOLECULE AMERSHAM INTERNATIONAL PLC (GB) 2002-06-06 US disclosed
EP-0720615-B1 ELONGATION, AMPLIFICATION AND SEQUENCE DETERMINATION USING A CHIMERIC OLIGONUCLEOTIDE AMERSHAM PHARM BIOTECH UK LTD (GB) 2000-07-26 EP disclosed
EP-0720615-A1 REAGENTS COMPRISING CHIMERIC MOLECULES OF NUCLEIC ACIDS AND NUCLEIC ACID ANALOGS AMERSHAM INTERNATIONAL plc (GB) 1996-07-10 EP disclosed
EP-0215942-B1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD ANTIVIRALS INC (US) 1995-07-12 EP disclosed
WO-1995008556-A1 REAGENTS COMPRISING CHIMERIC MOLECULES OF NUCLEIC ACIDS AND NUCLEIC ACID ANALOGS AMERSHAM INTERNATIONAL PLC (GB) 1995-03-30 WO disclosed
EP-0639582-A2 Polynucleotide assay reagent and method ANTIVIRALS INC. (US) 1995-02-22 EP disclosed
US-5217866-A Polynucleotide assay reagent and method ANTI-GENE DEVELOPMENT GROUP (US) 1993-06-08 US disclosed
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed