SCHEMBL9750336

SCHEMBL9750336

CCC(C)C1Cc2ccc(O)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
TTR P02766 1/20 0.40
CHRNA7 P36544 1/20 0.37

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
SCHEMBL9750293 0.88 ESR1 (0.40) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL1390878 0.74 MAPT (0.41) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL1390693 0.74 MAPT (0.41) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL5548009 0.74 MEN1 (0.46) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL9748059 0.72 ESR1 (0.56) ESR1ESR2CHRNA7
SCHEMBL5543458 0.72 SHBG (0.44) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL5547664 0.72 BRD4 (0.55) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL5546425 0.70 DRD2 (0.48) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL15447322 0.69 KDM4E (0.47) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL9749565 0.69 KDM4E (0.47) KDM4EALDH1A1CYP3A4MAPTALOX15

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-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed