SCHEMBL9124369

SCHEMBL9124369

COc1cc(/C=C(/C#N)C=O)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
RGS12 O14924 1/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
BLM P54132 1/20 0.58
GNAI1 P63096 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL9124372 1.00 EGFR (0.58) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL11549421 0.87 NQO1 (0.54) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL11549417 0.87 NQO1 (0.54) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL9508488 0.83 EGFR (0.68) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL9508495 0.83 EGFR (0.68) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL11549693 0.83 CYP1A2 (0.62) EGFRMAPTCYP1A2HPGDKDM4E
SCHEMBL11549689 0.83 CYP1A2 (0.62) EGFRMAPTCYP1A2HPGDKDM4E
SCHEMBL9408510 0.82 PKM (0.59) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL13950363 0.81 EGFR (0.51) EGFRKMT2AMAPTMEN1CYP1A2
SCHEMBL4325325 0.81 EGFR (0.51) EGFRKMT2AMAPTMEN1CYP1A2

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
US-5478856-A Styrene derivatives and salts thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0623603-A1 STYRENE DERIVATIVE AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed