SCHEMBL9510871

SCHEMBL9510871

COc1ccc(CSc2cccc(Cl)c2CC(CC(C)C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP1 P03956 2/20 0.38
EPHX1 P07099 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
LTB4R Q15722 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36
PDE6D O43924 1/20 0.35
MAPT P10636 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
SCHEMBL9511010 0.80 IDO1 (0.42) MEN1KMT2AABL1SRCMMP1
SCHEMBL9509591 0.79 FFAR1 (0.39) MMP1EPHX1FFAR1L3MBTL1GAA
SCHEMBL9507226 0.77 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL9510979 0.76 MMP1 (0.42) ALDH1A1MEN1KMT2AMMP1EPHX1
SCHEMBL9507588 0.75 MAOB (0.45) ALDH1A1MEN1KMT2AABL1SRC
SCHEMBL9509549 0.73 KMT2A (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1GAA
SCHEMBL9507325 0.72 MAOB (0.42) ALDH1A1MEN1KMT2AABL1SRC
SCHEMBL9509582 0.71 IDO1 (0.37) MEN1KMT2AABL1SRCMMP1
SCHEMBL9507230 0.70 CTSB (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL9509572 0.69 IDO1 (0.40) ALDH1A1MEN1KMT2AABL1SRC

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