SCHEMBL8797399

SCHEMBL8797399

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2c1cc(Br)cc2[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NLRP3 Q96P20 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TP53 P04637 1/20 0.32
TBXA2R P21731 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDK1 Q15118 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8799633 0.87 LPAR1 (0.35) LPAR1KMT2ALMNAALDH1A1HPGD
SCHEMBL8797240 0.85 LPAR1 (0.38) LPAR1KMT2ALMNAALDH1A1NLRP3
SCHEMBL8797455 0.83 LPAR1 (0.37) LPAR1KMT2ALMNANLRP3HDAC4
Hydrochloric Acid SCHEMBL8797870 0.83 LPAR1 (0.36) LPAR1KMT2ALMNAHDAC4HDAC7
SCHEMBL8797280 0.81 TBXA2R (0.37) ALDH1A1HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL8797482 0.81 LPAR1 (0.45) LPAR1KMT2ALMNAALDH1A1CYP2C9
SCHEMBL8797371 0.80 TP53 (0.42) LPAR1KMT2ALMNANLRP3HDAC4
SCHEMBL8797883 0.80 LPAR1 (0.46) LPAR1KMT2ALMNAALDH1A1CYP2C9
SCHEMBL8797311 0.79 TBXA2R (0.41) KMT2ALMNAALDH1A1TP53TBXA2R
SCHEMBL8797449 0.78 LPAR1 (0.44) LPAR1KMT2ALMNAALDH1A1CYP2C9

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 7 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
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