SCHEMBL8797398

SCHEMBL8797398

COc1ccc2c(c1)C(C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.49
SOAT1 P35610 4/20 0.43
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
TBXA2R P21731 1/20 0.40
SHMT2 P34897 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL8798165 0.87 TBXAS1 (0.41) LPAR1NPC1RAB9ALMNATP53
SCHEMBL8797272 0.86 TP53 (0.45) LPAR1MAPTSMN1; SMN2LMNATP53
SCHEMBL8798173 0.86 TP53 (0.47) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL8797372 0.85 LPAR1 (0.45) LPAR1SOAT1EDNRBEDNRAALDH1A1
SCHEMBL8797024 0.85 GRM7 (0.41) LPAR1MAPTSMN1; SMN2LMNATP53
SCHEMBL8797482 0.85 LPAR1 (0.45) LPAR1SOAT1ALDH1A1MAPTRAB9A
SCHEMBL8797541 0.85 LPAR1 (0.45) LPAR1KDM4EALDH1A1MAPTHPGD
SCHEMBL8797451 0.85 TP53 (0.39) LPAR1SOAT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8797584 0.84 TBXAS1 (0.48) LMNATBXA2RKMT2A
SCHEMBL8615128 0.84 LPAR1 (0.48) LPAR1SOAT1EDNRBEDNRA

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-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
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