SCHEMBL17468768

SCHEMBL17468768

CC[N+]1([O-])Cc2ccccc2OC(c2cccc(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
LDHA P00338 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
HTR2B P41595 6/20 0.33
HRH3 Q9Y5N1 4/20 0.33
HTR6 P50406 1/20 0.33
CFTR P13569 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL17459442 0.87 GUSB (0.37) LDHAAR
SCHEMBL17468760 0.80 LDHA (0.35) FFAR1LDHAHTR2AHTR2CHTR2B
SCHEMBL17459366 0.77
SCHEMBL17469074 0.74 KDM4E (0.33) HTR2AHTR2B
SCHEMBL17469010 0.71 GUSB (0.35)
SCHEMBL17469017 0.69 KDM1A (0.36) KDM1A
SCHEMBL17469075 0.68 GUSB (0.35)
SCHEMBL11246346 0.65 MAOB (0.69) AR
SCHEMBL11246350 0.65 MAOB (0.69) AR
SCHEMBL17468781 0.64 GUSB (0.36) LDHAAR

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed