SCHEMBL8613726

SCHEMBL8613726

CC(C)(C(=O)O)C1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.43
TBXAS1 P24557 5/20 0.38
CYP19A1 P11511 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL8618306 0.86 NR3C1 (0.45) TBXA2RTBXAS1NR3C1
SCHEMBL6938853 0.78 TBXA2R (0.45) TBXA2RTBXAS1CYP19A1
SCHEMBL8617506 0.76 TBXA2R (0.46) TBXA2RTBXAS1
SCHEMBL9063943 0.76 TBXA2R (0.41) TBXA2RCYP19A1
SCHEMBL7509159 0.76 TBXA2R (0.41) TBXA2RCYP19A1
SCHEMBL8797713 0.74 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL12205621 0.74 ACP3 (0.44) NR3C1
SCHEMBL12205541 0.74 HDAC4 (0.46) NR3C1
SCHEMBL8797524 0.73 TP53 (0.40) TBXA2RTBXAS1
SCHEMBL9331532 0.72 TBXA2R (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP disclosed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed