SCHEMBL28042954

SCHEMBL28042954

CCCCCCCCCCCCCCCCC1COCCO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
EPHX1 P07099 1/20 0.64
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
SPHK1 Q9NYA1 7/20 0.40
SPHK2 Q9NRA0 6/20 0.40
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCI P41743 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36

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
SCHEMBL11611467 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11615684 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1463562 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28284618 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1803193 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11694128 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL4618624 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL18092763 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL15301129 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL2811229 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263609-B Curable compositions and film 富士胶片制造欧洲有限公司 2018-05-04 CN disclosed
CN-105263609-A Curable compositions and membranes FUJIFILM MFG EUROPE BV 2016-01-20 CN disclosed