SCHEMBL9511010

SCHEMBL9511010

COc1ccc(CSc2cc(Cl)ccc2CC(CC(C)C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
MMP1 P03956 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KLK7 P49862 1/20 0.39
FPR2 P25090 1/20 0.38
ABL1 P00519 1/20 0.37
SRC P12931 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 0.92 FFAR1 (0.39) IDO1MMP1KLK7
SCHEMBL9509582 0.90 IDO1 (0.37) IDO1MMP1MEN1KMT2AKLK7
SCHEMBL9509572 0.88 IDO1 (0.40) IDO1MMP1MEN1KMT2AKLK7
SCHEMBL9510871 0.80 ALDH1A1 (0.40) MMP1MEN1KMT2AABL1SRC
SCHEMBL9507226 0.77 L3MBTL1 (0.43) MEN1KMT2AKLK7
SCHEMBL9510979 0.76 MMP1 (0.42) MMP1MEN1KMT2A
SCHEMBL9509549 0.75 KMT2A (0.43) MEN1KMT2A
SCHEMBL9507453 0.75 IDO1 (0.45) IDO1MEN1KMT2A
SCHEMBL9509583 0.72 SLC6A4 (0.44) IDO1MEN1KMT2A
SCHEMBL9507230 0.70 CTSB (0.40) MEN1KMT2A

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