SCHEMBL8797280

SCHEMBL8797280

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.37
ALDH1A1 P00352 3/20 0.34
GPR35 Q9HC97 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MAPT P10636 3/20 0.32
NR4A1 P22736 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TBXAS1 P24557 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 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
SCHEMBL8797395 0.80 GPR35 (0.33) TBXA2RGPR35MAPT
SCHEMBL6938853 0.75 TBXA2R (0.45) TBXA2RHDAC4HDAC7HDAC5TBXAS1
SCHEMBL8797855 0.74 HDAC4 (0.35) TBXA2RCYP3A4CYP2C19HDAC4HDAC7
SCHEMBL8798195 0.74 TBXA2R (0.46) TBXA2RALDH1A1MAPTTBXAS1KDM4E
SCHEMBL8797519 0.73 EDNRB (0.40) TBXA2RALDH1A1HDAC4HDAC7HDAC5
SCHEMBL8799633 0.72 LPAR1 (0.35) TBXA2RALDH1A1POLBHPGD
SCHEMBL8797713 0.72 TBXA2R (0.44) TBXA2RALDH1A1HDAC4HDAC7HDAC5
SCHEMBL21666653 0.71 BRD4 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL5756742 0.70 ATM (0.43) TBXA2RALDH1A1NPSR1HDAC4HDAC7
SCHEMBL5756737 0.70 ATM (0.43) TBXA2RALDH1A1NPSR1HDAC4HDAC7

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