SCHEMBL8041707

SCHEMBL8041707

O=c1[nH]nnn1C1C=CCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
OPRL1 P41146 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL8059809 0.90
SCHEMBL8601462 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8041713 0.69
SCHEMBL8054882 0.69
SCHEMBL5906267 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11039732 0.66 ALDH1A1 (0.35) ALDH1A1HPGDAPOBEC3GOPRL1OPRM1
SCHEMBL8843336 0.65 HCAR1 (0.36)
SCHEMBL16323910 0.64 ALDH1A1 (0.32) ALDH1A1HPGDAPOBEC3G
SCHEMBL8842637 0.62 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15974226 0.62 LMNA (0.41) ALDH1A1HPGDAPOBEC3GOPRL1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728750-B1 1-Cycloalkenyltetrazolinones BAYER AGROCHEM KK (JP) 2000-05-17 EP disclosed
US-5654257-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1997-08-05 US disclosed
EP-0728750-A1 1-Cycloalkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-08-28 EP disclosed