SCHEMBL9712960

SCHEMBL9712960

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BRAF P15056 3/20 0.45
RAF1 P04049 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL9712850 0.91 CYP1A2 (0.51) MAPK14CYP1A2CYP3A4CYP2C19MAPT
Isoxaben SCHEMBL54432 0.91 CYP1A2 (0.53) MAPK14CYP1A2CYP3A4CYP2C19MAPT
Isoxaben SCHEMBL8539623 0.91 CYP1A2 (0.53) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9712745 0.90 CYP1A2 (0.52) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9712994 0.90 BRAF (0.52) MAPK14CYP1A2CYP3A4CYP2C19MAPT
Isoxaben SCHEMBL9713018 0.90 CYP1A2 (0.52) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9712579 0.89 CYP1A2 (0.54) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9713457 0.89 CYP1A2 (0.49) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9712827 0.89 CYP1A2 (0.51) MAPK14CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9712754 0.89 CYP1A2 (0.51) MAPK14CYP1A2CYP3A4CYP2C19MAPT

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 10 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
EP-0238145-B1 SYNERGISTIC HERBICIDAL COMPOSITIONS AND METHODS OF USE. STAUFFER CHEMICAL COMPANY (US) 1989-07-19 EP disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
EP-0238145-A1 Synergistic herbicidal compositions and methods of use. STAUFFER CHEMICAL COMPANY (US) 1987-09-23 EP 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