SCHEMBL28077597

SCHEMBL28077597

C=C(C)C(=O)OC1CCCCC1.C=CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 3/20 0.39
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GPR35 Q9HC97 1/20 0.31

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
Acrylic Acid SCHEMBL10347249 0.91 EPHX1 (0.39) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL28113038 0.91 EPHX1 (0.41) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL18823066 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL28878275 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL439354 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL16297135 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL887989 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL22480 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL1052594 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19
SCHEMBL18822970 0.91 EPHX1 (0.46) EPHX1ALDH1A1NAAAHTTCYP2C19

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-104144952-B Moisture-absorbing/releasing polymer and raw material containing the same 日本爱克兰工业株式会社 2017-02-08 CN disclosed
CN-104619896-B Acrylic fibre and manufacture method thereof and the fiber construct containing this fiber 日本爱克兰工业株式会社 2016-08-24 CN disclosed