SCHEMBL9712827

SCHEMBL9712827

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BRAF P15056 3/20 0.43
RAF1 P04049 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 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 0.89 MAPK14 (0.54) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
Isoxaben SCHEMBL54432 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
Isoxaben SCHEMBL8539623 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL9712607 0.89 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
Isoxaben SCHEMBL9713018 0.88 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL9712713 0.88 BRAF (0.40) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL9712579 0.87 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL9712601 0.86 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL25763536 0.86 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL9713067 0.85 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2

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