SCHEMBL9510979

SCHEMBL9510979

COc1ccc(CSc2c(CC(CC(C)C)(C(=O)O)C(=O)O)cccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
GAA P10253 4/20 0.40
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
BMP1 P13497 1/20 0.36
EPHX1 P07099 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9507230 0.79 CTSB (0.40) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9509591 0.79 FFAR1 (0.39) MMP1GAAL3MBTL1EPHX1CYP1A2
SCHEMBL9507241 0.77 MMP1 (0.41) MMP1GAAALDH1A1MEN1KMT2A
SCHEMBL9509595 0.76 GAA (0.41) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9510871 0.76 ALDH1A1 (0.40) MMP1GAAALDH1A1MEN1KMT2A
SCHEMBL9511010 0.76 IDO1 (0.42) MMP1MEN1KMT2A
SCHEMBL9507220 0.74 GAA (0.44) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9509549 0.71 KMT2A (0.43) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL9507226 0.71 L3MBTL1 (0.43) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9509582 0.68 IDO1 (0.37) MMP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358305-B1 MERCAPTO-PHENYLALCANOYLAMINO ACID AMIDES, THEIR PREPARATION AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1993-08-25 EP disclosed
US-5124322-A Antiarthritic agents BEECHAM GROUP P.L.C. (GB) 1992-06-23 US disclosed
EP-0358305-A1 Mercapto-phenylalcanoylamino acid amides, their preparation and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1990-03-14 EP disclosed