SCHEMBL8797675

SCHEMBL8797675

CCc1cccc(CC)c1NC(=O)C1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
TBXA2R P21731 1/20 0.41
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CCR1 P32246 3/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8797849 0.88 TP53 (0.44) HTTTBXA2RTP53MAPTTHRB
SCHEMBL8797124 0.87 TP53 (0.41) HTTTBXA2RTP53MAPTTHRB
SCHEMBL8797142 0.87 HTT (0.42) HTTTP53
SCHEMBL8797482 0.86 LPAR1 (0.45) TBXA2RTP53MAPTHDAC4HDAC7
SCHEMBL8797523 0.85 MAPT (0.41) HTTTBXA2RTP53MAPTHDAC4
SCHEMBL8797662 0.81 LPAR1 (0.46) TBXA2RTP53CCR1
SCHEMBL8797278 0.81 TP53 (0.41) HTTTP53MAPT
SCHEMBL8797449 0.79 LPAR1 (0.44) HTTTBXA2RTP53MAPTHDAC4
SCHEMBL8798200 0.79 TP53 (0.48) HTTTP53MAPT
SCHEMBL8797883 0.79 LPAR1 (0.46) HTTTBXA2RTP53MAPTHDAC4

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