SCHEMBL8797282

SCHEMBL8797282

Cc1cc2c(c(C)c1Br)C(C(=O)Nc1c(C)cccc1C)c1ccccc1CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
SCN4A P35499 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8797543 0.91 TP53 (0.39) TP53HTTALDH1A1MAPTHDAC4
SCHEMBL8797278 0.90 TP53 (0.41) TP53HTTALDH1A1MAPTLMNA
SCHEMBL8797337 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL8797254 0.80 NLRP3 (0.36) TP53ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8797777 0.79 TP53 (0.52) TP53HTTMAPTUSP2HDAC4
SCHEMBL8797294 0.77 TP53 (0.38) TP53HTTALDH1A1MAPTLMNA
SCHEMBL8618649 0.77 SOAT1 (0.39)
SCHEMBL8798268 0.77 TP53 (0.46) TP53HTTALDH1A1MAPTUSP2
SCHEMBL8797119 0.76 TP53 (0.46) TP53HTTALDH1A1MAPTUSP2
SCHEMBL8620574 0.75 TBXA2R (0.40) ALDH1A1MAPT

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