SCHEMBL8761487

SCHEMBL8761487

COc1cccc(O)c1CC=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TP53 P04637 3/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RECQL P46063 1/20 0.59
TUBB1 Q9H4B7 2/20 0.49
NFE2L2 Q16236 2/20 0.46
TRPA1 O75762 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL9743045 0.84 TRPA1 (0.48) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL9743048 0.84 TRPA1 (0.48) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL30383221 0.81 MAPT (0.59) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL31233275 0.80 MAPT (0.61) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL8717485 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL28827494 0.80 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL8717482 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL24074928 0.79 MAPT (0.63) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL25197282 0.77 MAPT (0.47) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL24805158 0.77 MAPT (0.59) MAPTKDM4EALDH1A1TP53CYP3A4

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-0497465-B1 Record material APPLETON PAPER INC (US) 1997-06-04 EP disclosed
EP-0497465-A1 Record material APPLETON PAPERS INC. (US) 1992-08-05 EP disclosed