SCHEMBL10692331

SCHEMBL10692331

COC(=O)COCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 17/20 0.56
FFAR1 O14842 2/20 0.49

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
SCHEMBL10507759 0.87 MRGPRX4 (0.50) MRGPRX4FFAR1
SCHEMBL11205584 0.83 MRGPRX4 (0.51) MRGPRX4FFAR1
SCHEMBL11204692 0.82 MRGPRX4 (0.49) MRGPRX4FFAR1
SCHEMBL10423639 0.80 MRGPRX4 (0.51) MRGPRX4
SCHEMBL10507700 0.79 FFAR1 (0.62) MRGPRX4FFAR1
SCHEMBL10507578 0.79 FFAR1 (0.56) MRGPRX4FFAR1
SCHEMBL10690773 0.79 MEN1 (0.61) MRGPRX4FFAR1
SCHEMBL10509965 0.78 FFAR1 (0.51) MRGPRX4FFAR1
SCHEMBL10688351 0.78 FFAR1 (0.54) MRGPRX4FFAR1
SCHEMBL10510999 0.78 FFAR1 (0.48) MRGPRX4FFAR1

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
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed