SCHEMBL29276362

SCHEMBL29276362

CCC=C(C)C(=O)OC1CCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
NAAA Q02083 2/20 0.45
HTT P42858 2/20 0.40
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 4/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR35 Q9HC97 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2987394 1.00 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117589 1.00 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL632278 0.98 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL28264245 0.86 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117702 0.86 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL28473154 0.84 NAAA (0.45) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL3189963 0.83 EPHX1 (0.34) EPHX1NAAA
SCHEMBL3189961 0.83 EPHX1 (0.34) EPHX1NAAA
SCHEMBL5075297 0.83 NAAA (0.51) EPHX1NAAAHTTCYP2C19ALDH1A1
SCHEMBL27085758 0.82 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CYP19A1

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-118307703-A Bridge-structure photoresist resin, krF photoresist composition and preparation method thereof 安徽恒坤新材料科技有限公司 2024-07-09 CN disclosed