SCHEMBL9712641

SCHEMBL9712641

CCCCOCCCCCCCCC/C=C/C(F)(F)Cl

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CES1 P23141 3/20 0.40
CES2 O00748 1/20 0.39
LPAR2 Q9HBW0 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
LPAR1 Q92633 2/20 0.37

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
SCHEMBL9712648 1.00 FAAH (0.40) FAAHCES1CES2LPAR2LPAR3
SCHEMBL22268728 0.82 FAAH (0.46) FAAHCES1CES2LPAR2LPAR3
SCHEMBL9712599 0.80 LPAR2 (0.33) LPAR2LPAR3LPAR1
SCHEMBL9712592 0.80 LPAR2 (0.33) LPAR2LPAR3LPAR1
SCHEMBL19040828 0.79 LPAR2 (0.52) FAAHLPAR2LPAR3LPAR1
SCHEMBL7134220 0.77 LPAR1 (0.55) FAAHLPAR2LPAR3LPAR1
SCHEMBL3369594 0.77 LPAR1 (0.55) FAAHLPAR2LPAR3LPAR1
SCHEMBL1142560 0.77 LPAR2 (0.55) FAAHLPAR2LPAR3LPAR1
SCHEMBL1142372 0.77 LPAR1 (0.55) FAAHLPAR2LPAR3LPAR1
SCHEMBL1142310 0.77 LPAR1 (0.55) FAAHLPAR2LPAR3LPAR1

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-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed