SCHEMBL9763031

SCHEMBL9763031

CC(C(=O)O)c1ccc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
PKM P14618 3/20 0.49
HTT P42858 1/20 0.49
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLK1 P53350 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MYC P01106 1/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 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
SCHEMBL11310071 0.73 MAPT (0.52) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL27699296 0.72 ALDH1A1 (0.50) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL27645641 0.72 ALDH1A1 (0.54) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL27645537 0.69 ALDH1A1 (0.47) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL10205946 0.69 ALDH1A1 (0.69) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL28147295 0.68 ALDH1A1 (0.78) ALDH1A1MAPTPKMHTTKDM4E
SCHEMBL12176236 0.66 ALDH1A1 (0.46) ALDH1A1MAPTPKMHTTPTGS2
SCHEMBL6672586 0.66 ALDH1A1 (0.57) ALDH1A1MAPTPKMHTTKDM4E
SCHEMBL9763027 0.66 MEN1 (0.81) ALDH1A1MAPTHTTKDM4EMEN1
SCHEMBL13045336 0.66 CNR2 (0.40) ALDH1A1MAPTPKMHTTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-5034409-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-07-23 US disclosed
US-4694018-A ANTIINFLAMMATORY ANTIALLERGENS G. D. SERALE & CO. (US) 1987-09-15 US disclosed
US-4694018-A ANTIINFLAMMATORY ANTIALLERGENS G. D. SERALE & CO. (US) 1987-09-15 US disclosed
US-4694018-A ANTIINFLAMMATORY ANTIALLERGENS G. D. SERALE & CO. (US) 1987-09-15 US disclosed