SCHEMBL28820627

SCHEMBL28820627

COc1ccc(C=C(C#N)C(=O)O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
KDM4E B2RXH2 3/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC16A3 O15427 7/20 0.54
SLC16A1 P53985 7/20 0.54
EGFR P00533 2/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL23605194 0.86 EGFR (0.60) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL8649661 0.84 CYP1A2 (0.78) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL3020683 0.84 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL3020681 0.84 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL9360940 0.84 CYP1A2 (0.78) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL20358523 0.83 MIF (0.60) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL20358526 0.83 MIF (0.60) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL15428904 0.82 KDM4E (0.68) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL2459393 0.81 GABRA1 (0.59) CYP3A4KDM4ELMNAPKMKMT2A
SCHEMBL29394213 0.81 GABRA1 (0.59) CYP3A4KDM4ELMNAPKMKMT2A

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-104726399-A Application of ethyl p-methoxycinnamate and derivatives thereof to maintaining self-renewal and pluripotency of stem cells UNIV NORTHEAST NORMAL 2015-06-24 CN claimed
CN-104726399-A Application of ethyl p-methoxycinnamate and derivatives thereof to maintaining self-renewal and pluripotency of stem cells UNIV NORTHEAST NORMAL 2015-06-24 CN disclosed