SCHEMBL8450269

SCHEMBL8450269

C/C=C/C[C@H]1CC[C@H](CCc2cc(F)c(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL8451831 0.96 DAO (0.33) DAO
SCHEMBL8447668 0.89 DAO (0.35) DAO
SCHEMBL8450066 0.88 DAO (0.35) DAO
SCHEMBL8446787 0.87 NOS1 (0.32) NOS1NOS2
SCHEMBL8449963 0.86 DAO (0.34) DAO
SCHEMBL8454804 0.85 DAO (0.33) DAO
SCHEMBL8446852 0.85 DAO (0.33) DAO
SCHEMBL8453030 0.85 DAO (0.33) DAO
SCHEMBL8451913 0.84 DAO (0.33) DAO
SCHEMBL8452807 0.84 DAO (0.38) DAO

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-0647696-B1 Cyclohexane derivative CHISSO CORP (JP) 1999-04-21 EP disclosed
EP-0647696-A1 Cyclohexane derivative Chisso Corporation (JP) 1995-04-12 EP disclosed
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US disclosed