SCHEMBL9714189

SCHEMBL9714189

CCOc1ccc(C(CSCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.48
LTA4H P09960 1/20 0.47
FFAR1 O14842 1/20 0.45
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CNR2 P34972 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL9714171 0.86 CETP (0.49) CETP
SCHEMBL7931627 0.81 CETP (0.49) CETPLTA4HFFAR1
SCHEMBL409247 0.81 FFAR1 (0.51) CETPLTA4HFFAR1ACACBACACA
SCHEMBL9561406 0.81 FFAR1 (0.51) CETPLTA4HFFAR1ACACBACACA
SCHEMBL9714593 0.80 LTA4H (0.41) CETPLTA4HFFAR1ACACBCNR2
SCHEMBL10865859 0.78 LTA4H (0.45) CETPLTA4HFFAR1NPC1CYP1A2
SCHEMBL9714624 0.78 LTA4H (0.47) CETPLTA4HFFAR1NPC1CYP1A2
SCHEMBL8613003 0.77 LTA4H (0.51) CETPLTA4HFFAR1ACACBACACA
SCHEMBL10554911 0.77 LTA4H (0.51) CETPLTA4HFFAR1MGLLNPC1
SCHEMBL9714388 0.76 LTA4H (0.45) CETPLTA4HFFAR1NPC1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273549-B1 INSECTICIDAL THIOETHERS AND DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-02 EP disclosed
US-5068461-A 1,1,1-trifluoro-2-(4-alkoxyphenyl)prop-2-ene compounds for aphids, mites and other insects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US disclosed
US-4937388-A Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-26 US disclosed
EP-0273549-A1 Insecticidal thioethers and derivatives thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-06 EP disclosed