Alpha-Cyano-3-Hydroxycinnamic Acid

Alpha-Cyano-3-Hydroxycinnamic Acid

SCHEMBL7821767

N#C/C(=C\c1cccc(O)c1)C(=O)O.O=C(O)C(O)c1ccc(F)cc1

nearest known ligand 0.68

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 5/20 0.46
CISD1 Q9NZ45 1/20 0.46
SLC16A3 O15427 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
SLC16A1 P53985 1/20 0.46
GPR35 Q9HC97 1/20 0.46
MAPT P10636 2/20 0.44
ERBB2 P04626 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7821773 0.83 KDM4E (0.53) KDM4EMEN1KMT2AEGFRALDH1A1
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL1285555 0.83 KDM4E (1.00) KDM4EMEN1KMT2AEGFRCISD1
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL2057244 0.83 KDM4E (1.00) KDM4EMEN1KMT2AEGFRCISD1
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL29881895 0.83 KDM4E (1.00) KDM4EMEN1KMT2AEGFRCISD1
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL1285559 0.83 KDM4E (1.00) KDM4EMEN1KMT2AEGFRCISD1
SCHEMBL7821768 0.81 KDM4E (0.56) KDM4EMEN1KMT2AEGFRALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL8045415 0.78 KDM4E (0.88) KDM4EMEN1KMT2AEGFRCISD1
SCHEMBL20615263 0.76 KDM4E (0.69) KDM4EKMT2AEGFRCISD1SLC16A3
SCHEMBL28791205 0.76 KDM4E (0.69) KDM4EKMT2AEGFRCISD1SLC16A3
SCHEMBL7821777 0.75 LMNA (0.39) KDM4EMEN1KMT2AALDH1A1HPGD

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed