SCHEMBL8452807

SCHEMBL8452807

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
MAOB P27338 2/20 0.30
GPR84 Q9NQS5 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
SCHEMBL8451953 0.96 DAO (0.35) DAO
SCHEMBL8446784 0.88 DAO (0.38) DAOMAOBGPR84
SCHEMBL8454837 0.88 DAO (0.38) DAOMAOBGPR84
SCHEMBL8446845 0.88 MAOB (0.30) MAOB
SCHEMBL8451867 0.85 DAO (0.36) DAO
SCHEMBL8450729 0.84 DAO (0.35) DAO
SCHEMBL8454397 0.84 DAO (0.35) DAO
SCHEMBL8450269 0.84 DAO (0.35) DAO
SCHEMBL8453116 0.84 DAO (0.35) DAO
SCHEMBL8450095 0.84

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