SCHEMBL8797449

SCHEMBL8797449

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2cc(Br)ccc2COc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRM1 Q13255 1/20 0.40
TBXA2R P21731 1/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL8797662 0.94 LPAR1 (0.46) LPAR1TP53ALDH1A1TBXA2RKMT2A
SCHEMBL8797482 0.93 LPAR1 (0.45) LPAR1TP53MAPTALDH1A1POLB
SCHEMBL8797883 0.92 LPAR1 (0.46) LPAR1TP53MAPTALDH1A1POLB
SCHEMBL8798173 0.89 TP53 (0.47) TP53MAPTALDH1A1POLBCYP1A2
SCHEMBL8797886 0.89 LPAR1 (0.42) LPAR1TP53MAPTTBXA2RKMT2A
SCHEMBL8797028 0.84 TBXA2R (0.38) LPAR1TP53MAPTALDH1A1POLB
SCHEMBL8797336 0.82 LPAR1 (0.39) LPAR1TBXA2RKMT2ALMNASMN1; SMN2
SCHEMBL8797373 0.82 LPAR1 (0.44) LPAR1MAPTALDH1A1TBXA2RKMT2A
SCHEMBL8797272 0.81 TP53 (0.45) LPAR1TP53MAPTTBXA2RKMT2A
SCHEMBL8797240 0.81 LPAR1 (0.38) LPAR1TP53MAPTALDH1A1POLB

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