SCHEMBL8617465

SCHEMBL8617465

Cc1ccc2c(c1)C(CC(=O)O)c1ccccc1CO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
AKR1B1 P15121 1/20 0.41
TBXAS1 P24557 1/20 0.40

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
SCHEMBL8615765 0.84 AKR1B1 (0.45) TBXA2RAKR1B1TBXAS1
SCHEMBL8617506 0.84 TBXA2R (0.46) TBXA2RAKR1B1TBXAS1
SCHEMBL8614670 0.84 TBXA2R (0.47) TBXA2RTBXAS1
SCHEMBL8797377 0.81 TBXA2R (0.44) TBXA2RKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7509154 0.79 KMT2A (0.42) TBXA2RKMT2ATSHR
SCHEMBL9556925 0.78 TBXA2R (0.46) TBXA2RKMT2ATBXAS1
SCHEMBL22193837 0.77 KMT2A (0.38) TBXA2RKMT2ATSHR
SCHEMBL8797201 0.77 KMT2A (0.39) TBXA2RKMT2ATSHR
SCHEMBL8620574 0.76 TBXA2R (0.40) TBXA2RAKR1B1TBXAS1
SCHEMBL10881346 0.76 KMT2A (0.39) TBXA2RKMT2ATSHR

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