SCHEMBL8797672

SCHEMBL8797672

COc1ccc2c(c1)C(C(=O)O)c1cccnc1CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 6/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SHMT2 P34897 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 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
SCHEMBL10699642 0.84 EDNRB (0.41) EDNRBEDNRAP2RX7ALDH1A1DRD2
SCHEMBL8798118 0.82 DRD2 (0.35) EDNRBEDNRAP2RX7DRD2DRD3
SCHEMBL8797397 0.82 ALDH1A1 (0.49) EDNRBEDNRAALDH1A1DRD2DRD3
SCHEMBL8797372 0.82 LPAR1 (0.45) EDNRBEDNRAP2RX7ALDH1A1SHMT2
SCHEMBL8797476 0.81 MAPT (0.43) P2RX7ALDH1A1MAPTMEN1KMT2A
SCHEMBL10702160 0.81 HTR2B (0.40) EDNRBEDNRAP2RX7ALDH1A1DRD2
SCHEMBL8800043 0.78 DRD2 (0.36) EDNRBEDNRAP2RX7ALDH1A1DRD2
SCHEMBL7209964 0.77 EDNRB (0.36) EDNRBEDNRAP2RX7ALDH1A1DRD2
SCHEMBL7615965 0.75 HTR1A (0.35) EDNRBEDNRAP2RX7ALDH1A1DRD2
Fumaric Acid SCHEMBL29896602 0.74 CYP1A2 (0.36) EDNRBEDNRAP2RX7ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed