SCHEMBL9712994

SCHEMBL9712994

COCC(C)(C)c1cc(NC(=O)c2c(OC)cccc2OC)on1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.52
RAF1 P04049 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CNR2 P34972 5/20 0.50
CNR1 P21554 4/20 0.50
MAPK14 Q16539 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9712960 0.90 MAPK14 (0.54) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9712745 0.89 CYP1A2 (0.52) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL11102585 0.88 CYP1A2 (0.49) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9712850 0.88 CYP1A2 (0.51) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9712754 0.88 CYP1A2 (0.51) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9712601 0.87 CYP1A2 (0.57) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9712928 0.87 CYP1A2 (0.50) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9713457 0.86 CYP1A2 (0.49) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9713099 0.86 CYP1A2 (0.49) BRAFRAF1CYP1A2CYP3A4CYP2C19
SCHEMBL9713359 0.86 CYP1A2 (0.49) BRAFRAF1CYP1A2CYP3A4CYP2C19

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