SCHEMBL9507226

SCHEMBL9507226

COc1ccc(CSc2ccccc2CC(Cl)(CC(C)C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE6D O43924 1/20 0.41
KLK7 P49862 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FFAR1 O14842 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9509591 0.78 FFAR1 (0.39) L3MBTL1EPHX1PDE6DKLK7FFAR1
SCHEMBL9511010 0.77 IDO1 (0.42) MEN1KMT2AKLK7
SCHEMBL9510871 0.77 ALDH1A1 (0.40) L3MBTL1EPHX1MAPTMEN1KMT2A
SCHEMBL9509549 0.76 KMT2A (0.43) L3MBTL1MEN1KMT2AGAASMN1; SMN2
SCHEMBL8430514 0.73 FFAR1 (0.53) EPHX1MAPTMEN1KMT2APTGDR2
SCHEMBL5970893 0.72 APP (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6290570 0.72 RAB9A (0.67) L3MBTL1EPHX1MAPTMEN1KMT2A
SCHEMBL13402346 0.71 HPGD (0.47) L3MBTL1EPHX1MAPTMEN1KMT2A
SCHEMBL9510979 0.71 MMP1 (0.42) L3MBTL1EPHX1MAPTMEN1KMT2A
SCHEMBL9235272 0.71 LTA4H (0.55) MAPTMEN1KMT2AALDH1A1MMP9

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