SCHEMBL9763913

SCHEMBL9763913

CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](CCc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
MAOB P27338 4/20 0.31
MAOA P21397 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DAO P14920 1/20 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
SCHEMBL9763924 1.00 RIPK1 (0.33) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9763919 1.00 RIPK1 (0.33) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9764466 0.98 RIPK1 (0.33) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9764462 0.98 RIPK1 (0.33) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL23197876 0.93 RIPK1 (0.31) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9503638 0.90 MAOB (0.34) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9503645 0.90 MAOB (0.34) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9503649 0.90 MAOB (0.34) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9763928 0.88 MAOB (0.35) RIPK1NOS3NOS1NOS2MAOB
SCHEMBL9763923 0.88 MAOB (0.35) RIPK1NOS3NOS1NOS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed