SCHEMBL927484

SCHEMBL927484

C=Cc1ccc(OCCCCC)cc1.COC(Oc1ccc2c3c(cccc13)C=C2)C(C)C.Oc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
NR5A1 Q13285 1/20 0.32
LTA4H P09960 1/20 0.31
CNR2 P34972 2/20 0.30
TRPM8 Q7Z2W7 3/20 0.30

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
SCHEMBL925884 0.97 KCNH2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Indene SCHEMBL927491 0.93
4-Vinylphenol SCHEMBL925066 0.83
SCHEMBL923834 0.76 PPARG (0.33)
SCHEMBL926416 0.74 PRMT1 (0.32)
Indene SCHEMBL924870 0.72
4-Vinylphenol SCHEMBL925059 0.69 S100B (0.31)
SCHEMBL547158 0.67 RELA (0.32)
SCHEMBL21625027 0.67 HTR1B (0.47) CNR2
SCHEMBL924891 0.66 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20110003251-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-01-06 US disclosed