SCHEMBL8397481

SCHEMBL8397481

N#C/C(=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 6/20 0.56
CYP1A2 P05177 5/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
EGFR P00533 11/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
KDM4E B2RXH2 5/20 0.56
BLM P54132 5/20 0.56
TP53 P04637 4/20 0.56
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 3/20 0.56
ALOX12 P18054 3/20 0.56
MAPK1 P28482 3/20 0.56

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
SCHEMBL8397482 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8400487 0.91 ESR1 (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8400486 0.91 ESR1 (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8397484 0.87 EGFR (0.62) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8400644 0.86 NQO2 (0.57) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8400643 0.86 NQO2 (0.57) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL13485321 0.85 ESR1 (0.69) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8397486 0.84 EGFR (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8397485 0.84 EGFR (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL8397012 0.81 NQO2 (0.56) ALDH1A1MAPTHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7048336-A None JP disclosed
EP-0640586-B1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 1999-06-09 EP disclosed
US-5589506-A ENZYME INHIBITORS FOR LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-12-31 US disclosed
JP-H0748336-A STILBENE DERIVATIVE, STILBENE-HOMOLOGOUS DERIVATIVE AND THEIR USE MORINAGA MILK IND CO LTD 1995-02-21 JP disclosed