SCHEMBL9713323

SCHEMBL9713323

CCCCCCc1cc(NC(=O)c2c(OC)cccc2OC)on1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
MAPK14 Q16539 1/20 0.50
PPARA Q07869 2/20 0.49
PLK1 P53350 1/20 0.47
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9712816 0.91 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9712883 0.86 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL20166866 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL3669020 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9713137 0.82 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9713441 0.81 CYP3A4 (0.47) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL10606883 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9712904 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9713084 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19TSHRTP53
SCHEMBL9713500 0.80 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed