SCHEMBL7303734

SCHEMBL7303734

CC(C)(CSc1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
ELANE P08246 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SRD5A2 P31213 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PPARG P37231 2/20 0.42
NPY5R Q15761 1/20 0.42
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2816778 0.86 FFAR1 (0.50) PPARAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL7308291 0.85 MAPK13 (0.42) PPARAELANEALDH1A1SRD5A2MAPK13
SCHEMBL7350612 0.80 BLM (0.43) ALDH1A1HPGD
SCHEMBL8101750 0.78 SMN1; SMN2 (0.49) ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL11356807 0.78 ALDH1A1 (0.54) ELANEALDH1A1SRD5A2MAPK13MAPK12
SCHEMBL11306067 0.77 ALDH1A1 (0.58) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL7722382 0.77 ALDH1A1 (0.58) ELANEALDH1A1SRD5A2MAPK13MAPK12
SCHEMBL2026670 0.74 FFAR1 (0.48) ALDH1A1HPGDRAB9ANPC1
SCHEMBL15007027 0.74 FFAR1 (0.70) ELANEALDH1A1SRD5A2MAPK13MAPK12
SCHEMBL27910293 0.74 ALDH1A1 (0.54) ELANEALDH1A1SRD5A2MAPK13MAPK12

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed