SCHEMBL9713571

SCHEMBL9713571

CCC(CC)(CCCCC1CCCCC1)c1cc(N)on1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
SIGMAR1 Q99720 3/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
RECQL P46063 1/20 0.31
CEL P19835 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9712799 0.68 CYP1A2 (0.40) CYP1A2SIGMAR1NPSR1TLR7
SCHEMBL9713280 0.68 S1PR1 (0.34) CYP1A2ALDH1A1NPSR1RAB9A
SCHEMBL5782512 0.63 RAB9A (0.37) ALDH1A1RECQLRAB9A
SCHEMBL8855122 0.63 SIGMAR1 (0.53) CYP1A2SIGMAR1
SCHEMBL9713593 0.62 CNR2 (0.32) CNR2
Hydrochloric Acid SCHEMBL8705742 0.62 SIGMAR1 (0.52) CYP1A2SIGMAR1
SCHEMBL11576774 0.60 CYP1A2 (0.59) CYP1A2SIGMAR1TLR7
SCHEMBL9377480 0.60 SIGMAR1 (0.54) CYP1A2SIGMAR1
SCHEMBL5614191 0.60 SIGMAR1 (0.70) CYP1A2SIGMAR1CEL
SCHEMBL9190697 0.60 SIGMAR1 (0.70) CYP1A2SIGMAR1CEL

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