SCHEMBL18504545

SCHEMBL18504545

CCc1cccc(Cl)c1COc1ccn(O)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.37
NR1H4 Q96RI1 2/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
S1PR1 P21453 3/20 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
SCHEMBL18504959 0.91 S1PR1 (0.37) S1PR5NR1H4S1PR3SMN1; SMN2PKM
SCHEMBL18504671 0.87 SMN1; SMN2 (0.46) NR1H4SMN1; SMN2PKM
SCHEMBL18504701 0.87 SMN1; SMN2 (0.36) NR1H4SMN1; SMN2PKM
SCHEMBL18504591 0.84 HTR1A (0.31) PKM
SCHEMBL18504982 0.84 HTR1A (0.34) PKM
SCHEMBL22563874 0.84 SMN1; SMN2 (0.36) S1PR5NR1H4S1PR3SMN1; SMN2PKM
SCHEMBL18504298 0.84 GABRA1 (0.34) PKM
SCHEMBL18504694 0.84 SMN1; SMN2 (0.38) NR1H4SMN1; SMN2PKM
SCHEMBL18504348 0.84 NR1H4 (0.33) NR1H4
SCHEMBL18504563 0.83 ALDH1A1 (0.37) NR1H4SMN1; SMN2PKM

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed