SCHEMBL8620574

SCHEMBL8620574

Cc1cc2c(c(C)c1Br)C(CC(=O)O)c1ccccc1CO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.35
TBXAS1 P24557 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 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
SCHEMBL8797337 0.83 ALDH1A1 (0.42) TBXA2RALDH1A1MAPTAKR1B1TBXAS1
SCHEMBL8615765 0.76 AKR1B1 (0.45) TBXA2RAKR1B1TBXAS1HTR2AHTR2C
SCHEMBL8617506 0.76 TBXA2R (0.46) TBXA2RAKR1B1TBXAS1HTR2AHTR2C
SCHEMBL8617465 0.76 TBXA2R (0.46) TBXA2RAKR1B1TBXAS1
SCHEMBL8797282 0.75 TP53 (0.44) ALDH1A1MAPT
SCHEMBL8799249 0.74 ALDH1A1 (0.40) ALDH1A1MAPTHTR2AHTR2CHRH1
SCHEMBL8797278 0.74 TP53 (0.41) ALDH1A1MAPT
SCHEMBL8797543 0.72 TP53 (0.39) ALDH1A1MAPT
SCHEMBL8797294 0.71 TP53 (0.38) TBXA2RALDH1A1MAPT
SCHEMBL8614670 0.71 TBXA2R (0.47) TBXA2RALDH1A1MAPTTBXAS1HTR2A

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