SCHEMBL8797240

SCHEMBL8797240

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2c(N)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 3/20 0.33
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM1 Q13255 1/20 0.32

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
SCHEMBL8797455 0.87 LPAR1 (0.37) LPAR1KMT2ALMNAHDAC4HDAC7
Hydrochloric Acid SCHEMBL8797870 0.86 LPAR1 (0.36) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797399 0.85 LPAR1 (0.36) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797482 0.84 LPAR1 (0.45) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797371 0.83 TP53 (0.42) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797883 0.83 LPAR1 (0.46) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797449 0.81 LPAR1 (0.44) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8798173 0.80 TP53 (0.47) KMT2ALMNAHDAC4HDAC7HDAC5
SCHEMBL8797662 0.79 LPAR1 (0.46) LPAR1KMT2ALMNATP53SMN1; SMN2
SCHEMBL8796912 0.78 TP53 (0.41) LPAR1KMT2ALMNAHDAC4HDAC7

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