SCHEMBL9712816

SCHEMBL9712816

CCCc1cc(NC(=O)c2c(OC)cccc2OC)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK14 Q16539 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TAS1R3 Q7RTX0 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
SCHEMBL9713323 0.91 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL9712883 0.90 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL3669020 0.89 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL20166866 0.89 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL10606883 0.85 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL9712904 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL9713191 0.84 MAPK14 (0.48) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL11251312 0.82 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL9713137 0.82 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19MAPTTP53
SCHEMBL11253369 0.82 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19MAPTTP53

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