SCHEMBL9539598

SCHEMBL9539598

OCCC(c1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
PTGS2 P35354 1/20 0.38
PDE2A O00408 5/20 0.38
EPHX2 P34913 3/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A3 Q01959 1/20 0.36
FFAR1 O14842 1/20 0.36
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35

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
SCHEMBL21495045 0.81 EPHX2 (0.46) SLC6A4PTGS2EPHX2MEN1MITF
SCHEMBL9540364 0.80 PDE2A (0.40) PDE2AFFAR1
SCHEMBL9540366 0.78 PDE2A (0.37) SLC6A4PDE2AEPHX2ALDH1A1
SCHEMBL9539627 0.76 PDE2A (0.45) PDE2AEPHX2MEN1KMT2AALDH1A1
SCHEMBL18291931 0.76 PDE2A (0.41) SLC6A4PDE2AEPHX2ALDH1A1SLC6A3
SCHEMBL16563872 0.76 SLC6A4 (0.42) SLC6A4PDE2AALDH1A1SLC6A3DPP4
SCHEMBL16861435 0.75 PDE2A (0.44) SLC6A4PDE2AEPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL16634012 0.74 SLC6A4 (0.41) SLC6A4PDE2AALDH1A1SLC6A3DPP4
SCHEMBL9542135 0.74 SLC6A2 (0.45) SLC6A4SLC6A3FFAR1
SCHEMBL8041260 0.74 KDM4E (0.43) SLC6A4EPHX2MEN1MITFKMT2A

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