SCHEMBL11216141

SCHEMBL11216141

C=CCC1(c2ccc(O)cc2O)Oc2ccccc2CC1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
NR3C1 P04150 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PGR P06401 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL11216143 0.75 KDM4E (0.32) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL7846851 0.73 HRH3 (0.38) HRH3
SCHEMBL9782473 0.65 ESR2 (0.35) ESR1ESR2NR3C1PGR
SCHEMBL2967628 0.63 OPRM1 (0.34) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL29288705 0.63 MAOB (0.36) KDM4E
SCHEMBL3310654 0.62 MGAM (0.47) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL30146748 0.62 MAOA (0.39)
SCHEMBL8370012 0.62 MGAM (0.47) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL7557445 0.62 MAOA (0.39)
SCHEMBL30623127 0.62 SCD (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021827-B1 POLYALKYLHYDROXYCHROMENE AND PROCESS FOR PREPARING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-05-11 EP disclosed
US-4323505-A HERBICIDES, FUNGICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
EP-0021827-A1 Polyalkylhydroxychromene and process for preparing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-01-07 EP disclosed