SCHEMBL14747436

SCHEMBL14747436

CC(=O)CCCCCN1CCCc2cc(C)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.56
▸ CHRM4 P08173 3/20 0.56
▸ CHRM1 P11229 3/20 0.56
▸ CHRM3 P20309 3/20 0.56
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ NOTUM Q6P988 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ SMAD3 P84022 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL20863104 0.83 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL15871059 0.81 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10020224 0.80 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10216047 0.76 KDM4E (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14564422 0.76 CHRM2 (0.71) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5905885 0.76 CHRM2 (0.56) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL12656456 0.75 CHRM2 (0.70) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL19871386 0.75 HSD17B10 (0.53) ALDH1A1KDM4ENOTUMMEN1KMT2A
SCHEMBL19871390 0.74 HDAC1 (0.53) ALDH1A1KDM4ENOTUMMEN1KMT2A
SCHEMBL12956755 0.73 ALDH1A1 (0.59) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
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