SCHEMBL18156350

SCHEMBL18156350

CCC(=O)Oc1cccc(Br)c1COc1ccc(CC)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.42
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
ALOX15 P16050 1/20 0.37
S1PR1 P21453 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL18156404 0.91 MRGPRX4 (0.45) MRGPRX4RXRARXRBRXRGS1PR1
SCHEMBL18156260 0.90 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18156264 0.89 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18156351 0.88 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18182012 0.88 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18181983 0.88 RXRA (0.47) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18182569 0.88 MRGPRX4 (0.45) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18182546 0.88 CYP1A2 (0.41) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL18156348 0.88 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGALOX15
SCHEMBL18182570 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGALOX15

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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP disclosed