SCHEMBL6938853

SCHEMBL6938853

O=C(O)C1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.45
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TBXAS1 P24557 4/20 0.39
APP P05067 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP19A1 P11511 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL8798029 0.92 TBXA2R (0.44) TBXA2RDRD2DRD3APPEDNRB
SCHEMBL8797713 0.90 TBXA2R (0.44) TBXA2RDRD2DRD3TBXAS1HDAC4
SCHEMBL8797519 0.89 EDNRB (0.40) TBXA2RTBXAS1APPHDAC4HDAC7
SCHEMBL8797257 0.84 KDM4E (0.41) TBXA2RDRD2DRD3
SCHEMBL5756737 0.84 ATM (0.43) TBXA2RTBXAS1HDAC4HDAC7HDAC5
SCHEMBL5756742 0.84 ATM (0.43) TBXA2RTBXAS1HDAC4HDAC7HDAC5
SCHEMBL8797894 0.83 TBXA2R (0.40) TBXA2RTBXAS1AR
SCHEMBL8797251 0.83 NOTUM (0.43) TBXA2RDRD2DRD3TBXAS1
SCHEMBL8797275 0.83 MAOB (0.44) TBXA2RDRD2DRD3TBXAS1
SCHEMBL8797377 0.83 TBXA2R (0.44) TBXA2RTBXAS1

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
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO 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