SCHEMBL8977055

SCHEMBL8977055

COc1ccc(C(=O)C(C#N)=Cc2ccc(O)cc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 2/20 0.50
EGFR P00533 7/20 0.47
ERBB2 P04626 4/20 0.47
LCK P06239 1/20 0.46
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RGS12 O14924 2/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALPL P05186 2/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL9852393 0.86 KMT2A (0.49) CYP1A2CYP3A4CYP2C9EGFRERBB2
SCHEMBL8976994 0.83 ALDH1A1 (0.55) CYP1A2CYP3A4EGFRERBB2MEN1
SCHEMBL8965376 0.83 ALDH1A1 (0.55) CYP1A2CYP3A4EGFRERBB2MEN1
SCHEMBL8976998 0.83 ALDH1A1 (0.55) CYP1A2CYP3A4EGFRERBB2MEN1
SCHEMBL23605194 0.80 EGFR (0.60) MIFCYP1A2CYP3A4CYP2C9EGFR
SCHEMBL29119411 0.78 MIF (0.72) MIFCYP1A2CYP3A4CYP2C9EGFR
SCHEMBL14103907 0.75 EGFR (0.64) CYP1A2CYP3A4EGFRERBB2CES2
SCHEMBL21457392 0.74 EGFR (0.79) MIFCYP3A4EGFRLCKKMT2A
SCHEMBL21457390 0.74 EGFR (0.79) MIFCYP3A4EGFRLCKKMT2A
SCHEMBL1603828 0.73 CHRNA7 (0.75) TYRMEN1KMT2AALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428398-B1 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-04-03 EP disclosed