SCHEMBL16809141

SCHEMBL16809141

Cc1cc(C(=O)O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.62
RXRB P28702 9/20 0.62
RXRG P48443 5/20 0.62
TPMT P51580 1/20 0.53
HCAR1 Q9BXC0 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
CES2 O00748 1/20 0.46
DHODH Q02127 2/20 0.44
CNR2 P34972 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SYK P43405 2/20 0.42

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
SCHEMBL18198911 0.97 RXRA (0.57) RXRARXRBRXRGTPMTHCAR1
SCHEMBL3082270 0.87 RXRA (0.72) RXRARXRBRXRGCES2DHODH
SCHEMBL17048588 0.87 RXRA (0.72) RXRARXRBRXRGCES2DHODH
SCHEMBL2926459 0.85 TPMT (0.61) RXRARXRBRXRGTPMTHCAR1
SCHEMBL30240792 0.85 TPMT (0.61) RXRARXRBRXRGTPMTHCAR1
SCHEMBL17231196 0.83 TPMT (0.76) RXRARXRBTPMTHCAR1DHODH
SCHEMBL26375464 0.79 NOTUM (0.50) RXRARXRBRXRGCES2
SCHEMBL503980 0.79 CES2 (0.70) RXRARXRBRXRGMRGPRX4CES2
SCHEMBL12583263 0.79 RAPGEF4 (0.48) RXRARXRBRXRGCES2
SCHEMBL30469526 0.77 RXRA (0.74) RXRARXRBRXRGDHODH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015087062-A1 COMPLEXES AND CATALYTIC PROCESSES THE UNIVERSITY OF SUSSEX (GB) 2015-06-18 WO disclosed