SCHEMBL28217401

SCHEMBL28217401

COc1ccc(C(C)=C(C#N)C(=O)O)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TSHR P16473 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ELANE P08246 1/20 0.50
PDE4B Q07343 5/20 0.49
PDE4A P27815 4/20 0.49

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
SCHEMBL26087542 0.88 HPGD (0.55) HPGDCA12CA1CA2CA4
SCHEMBL28280523 0.87 HPGD (0.76) HPGDCA12CA1CA2CA4
SCHEMBL18078302 0.87 HPGD (0.76) HPGDCA12CA1CA2CA4
SCHEMBL10612515 0.82 CA12 (0.53) HPGDCA12CA1CA2CA4
SCHEMBL10612512 0.82 CA12 (0.53) HPGDCA12CA1CA2CA4
SCHEMBL20358156 0.82 HPGD (0.69) HPGDCA12CA1CA2CA4
SCHEMBL20358155 0.82 HPGD (0.69) HPGDCA12CA1CA2CA4
SCHEMBL536534 0.80 CA1 (0.52) HPGDCA1CA2MAPTPOLB
SCHEMBL536535 0.80 CA1 (0.52) HPGDCA1CA2MAPTPOLB
SCHEMBL1981893 0.79 HPGD (0.57) HPGDCA12CA1CA2CA4

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-109354576-A A kind of 2- cyano -3- methyl -3-(3,4- Dimethoxyphenyl) methyl acrylate preparation method 安庆飞凯新材料有限公司 2019-02-19 CN disclosed
CN-104726399-B The application of ethyl ρ-methoxy cinnamate and its derivative in stem cells self-renewal and multipotency is maintained 东北师范大学 2018-05-29 CN disclosed