SCHEMBL13458462

SCHEMBL13458462

Cc1ccccc1COc1cc(C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
RXRB P28702 3/20 0.54
RXRG P48443 3/20 0.54
MRGPRX4 Q96LA9 8/20 0.54
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.47
SRD5A2 P31213 1/20 0.46
PTGER1 P34995 1/20 0.45

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
SCHEMBL31215401 0.86 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL849231 0.83 RXRA (0.72) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL1347587 0.78 TSHR (0.60) RXRARXRBRXRGMRGPRX4SRD5A2
SCHEMBL312800 0.77 L3MBTL1 (0.53) RXRARXRBRXRGMRGPRX4SRD5A2
SCHEMBL24214079 0.75 HTT (0.51) RXRARXRBRXRGMRGPRX4
SCHEMBL13951676 0.74 MAOB (0.77) RXRARXRBRXRGFFAR1MAOB
SCHEMBL13434198 0.74 MRGPRX4 (0.49) RXRARXRBRXRGMRGPRX4
SCHEMBL25789823 0.74 PLA2G2D (0.65)
SCHEMBL3901040 0.73 MRGPRX4 (0.60) RXRARXRBRXRGMRGPRX4
SCHEMBL29380678 0.73 CA12 (0.62) RXRARXRBRXRGMRGPRX4

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-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed