SCHEMBL9712883

SCHEMBL9712883

CCc1cc(NC(=O)c2c(OC)cccc2OC)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
ABL1 P00519 1/20 0.45

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 0.90 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL10606883 0.87 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9712904 0.86 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9713323 0.86 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL3669020 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL20166866 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9712915 0.83 CYP3A4 (0.65) CYP1A2CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL9712888 0.82 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL27605122 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9712579 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E

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