SCHEMBL7435606

SCHEMBL7435606

COc1ccc(C(CC(=O)O)Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 5/20 0.48
SERPINH1 P50454 1/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.46
CNR2 P34972 1/20 0.46
ACP3 P15309 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8524120 0.87 L3MBTL1 (0.66) L3MBTL1SERPINH1KMT2AHTTNPC1
SCHEMBL10426256 0.85 MTNR1A (0.51) L3MBTL1FFAR1
SCHEMBL9073611 0.84 ITGB3 (0.51) FFAR1SMN1; SMN2
SCHEMBL22362031 0.84 ITGB3 (0.51) FFAR1SMN1; SMN2
SCHEMBL27494318 0.83 SERPINH1 (0.46) L3MBTL1SERPINH1KMT2AHTTACP3
SCHEMBL10439991 0.82 MAPT (0.47) L3MBTL1FFAR1SERPINH1KMT2AATM
SCHEMBL6825864 0.81 MMP2 (0.57) KMT2AHTTCNR2HPGDNPSR1
SCHEMBL10424824 0.80 TDP1 (0.47) FFAR1SERPINH1KMT2AATMCNR2
SCHEMBL10536046 0.80 PDPK1 (0.50) FFAR1KMT2ACNR2
SCHEMBL28489153 0.78 FFAR1 (0.61) L3MBTL1FFAR1KMT2AATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609031-B1 Process for preparing benzothiazepine derivatives SHIONOGI & CO (JP) 1997-08-13 EP disclosed