SCHEMBL31438232

SCHEMBL31438232

CCC#CCC#CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
VDR P11473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL12611117 1.00 STAT3 (0.38) STAT3ALDH1A1GAAKMT2ACYP3A4
SCHEMBL1603835 0.95 GAA (0.41) STAT3ALDH1A1GAAKMT2ACYP3A4
SCHEMBL7644858 0.88 GAA (0.46) STAT3ALDH1A1GAAKMT2ACYP3A4
SCHEMBL16478836 0.86 STAT3 (0.37) STAT3ALDH1A1GAACYP3A4CYP2C9
SCHEMBL21317439 0.85 STAT3 (0.36) STAT3ALDH1A1GAAKMT2ACYP3A4
SCHEMBL16478832 0.84 STAT3 (0.39) STAT3ALDH1A1GAACYP3A4CYP2C9
SCHEMBL12610887 0.84 VDR (0.36) STAT3ALDH1A1GAACYP3A4CYP2C9
SCHEMBL7624623 0.83 CA12 (0.40) STAT3ALDH1A1GAACYP3A4CYP2C9
SCHEMBL16344942 0.82 GAA (0.41) STAT3ALDH1A1GAAKMT2ACYP3A4
SCHEMBL18926551 0.82 CA12 (0.45) STAT3ALDH1A1GAAKMT2ACYP3A4

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
CN-115959963-B Synthesis method of cis, cis-3, 6, 9-heptadecyltriene 中国林业科学研究院森林生态环境与自然保护研究所 2025-04-25 CN disclosed