SCHEMBL8797644

SCHEMBL8797644

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2OCc2nc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SOAT1 P35610 1/20 0.38
MEN1 O00255 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL8797939 0.86 LMNA (0.47) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8799193 0.85 NLRP3 (0.38) GRM1CYP1A2CYP2C9CYP2D6ALDH1A1
SCHEMBL8798173 0.83 TP53 (0.47) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8797449 0.80 LPAR1 (0.44) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8798759 0.79 LPAR1 (0.41) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8797883 0.77 LPAR1 (0.46) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8797482 0.77 LPAR1 (0.45) GRM1CYP1A2CYP2C9CYP2D6MAPT
SCHEMBL8797372 0.73 LPAR1 (0.45) MAPTALDH1A1TP53KMT2AHTT
SCHEMBL8797662 0.73 LPAR1 (0.46) ALDH1A1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL8797272 0.73 TP53 (0.45) MAPTTP53LMNAKMT2ASMN1; SMN2

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 6 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 claimed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US claimed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP claimed
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