SCHEMBL9712562

SCHEMBL9712562

OCCCCCCCCC/C=C/C(F)(F)Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.32
CES1 P23141 2/20 0.32
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9712567 1.00 FAAH (0.32) FAAHCES1GMNNUSP2CYP1A2
SCHEMBL9712786 0.78
SCHEMBL9712721 0.78
SCHEMBL4734221 0.75 FAAH (0.30) FAAHCES1
SCHEMBL5056585 0.75 FAAH (0.30) FAAHCES1
SCHEMBL3142800 0.74
SCHEMBL9712592 0.74 LPAR2 (0.33)
SCHEMBL29354484 0.74
SCHEMBL3138372 0.74
SCHEMBL9712599 0.74 LPAR2 (0.33)

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 2 patents. 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
US-4950666-A INSECTS, ACARIDS, AND NEMATODES FMC CORPORATION (US) 1990-08-21 US disclosed