SCHEMBL29117656

SCHEMBL29117656

C=C(CC)C(=O)OC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
NAAA Q02083 2/20 0.46
HTT P42858 3/20 0.41
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL29117755 1.00 EPHX1 (0.50) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27482512 1.00 EPHX1 (0.50) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL1131135 1.00 EPHX1 (0.50) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27529211 0.98 EPHX1 (0.47) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL7022735 0.94 EPHX1 (0.43) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL3268433 0.90 EPHX1 (0.37) EPHX1NAAAHTTCYP19A1ALDH1A1
SCHEMBL29117582 0.85 NAAA (0.51) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL2090330 0.85 NAAA (0.51) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL21761419 0.85 EPHX1 (0.34) EPHX1NAAA
SCHEMBL20090832 0.83 THRB (0.39) EPHX1NAAAALDH1A1TSHR

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-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed