SCHEMBL9540364

SCHEMBL9540364

OCCC(c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
RPS6KB1 P23443 4/20 0.39
FFAR2 O15552 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
FFAR1 O14842 1/20 0.36
AKT1S1 Q96B36 1/20 0.36

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
SCHEMBL9539598 0.80 SLC6A4 (0.39) PDE2AFFAR1
SCHEMBL9542135 0.77 SLC6A2 (0.45) FFAR1
SCHEMBL17064823 0.77 FFAR1 (0.36) FFAR1
SCHEMBL9539605 0.77 FFAR1 (0.49) FFAR1
SCHEMBL9539582 0.75 RPS6KB1 (0.39) PDE2ARPS6KB1FFAR2CES2CES1
SCHEMBL2652751 0.75 TRPV3 (0.46) RPS6KB1TRPV3FFAR1
SCHEMBL2652705 0.75 TRPV3 (0.46) RPS6KB1TRPV3FFAR1
SCHEMBL19120894 0.74 PDE2A (0.41) PDE2ARPS6KB1AKT1S1
SCHEMBL10989062 0.73 SLC6A4 (0.44)
SCHEMBL20790946 0.73 PDE2A (0.41) PDE2AFFAR2CES2CES1

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-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed