SCHEMBL8448647

SCHEMBL8448647

FCCC=C[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)F)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
HDAC2 Q92769 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 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
SCHEMBL8448632 1.00 FFAR1 (0.34) FFAR1HDAC2NPC1RAB9AMAOA
SCHEMBL8448645 1.00 FFAR1 (0.34) FFAR1HDAC2NPC1RAB9AMAOA
SCHEMBL8448636 1.00 FFAR1 (0.34) FFAR1HDAC2NPC1RAB9AMAOA
SCHEMBL8448089 0.96 HDAC2 (0.34) HDAC2MAOAMAOB
SCHEMBL8448095 0.96 HDAC2 (0.34) HDAC2MAOAMAOB
SCHEMBL8448087 0.96 HDAC2 (0.34) HDAC2MAOAMAOB
SCHEMBL8448472 0.90 ESR2 (0.35) HDAC2
SCHEMBL8448474 0.90 ESR2 (0.35) HDAC2
SCHEMBL8448470 0.90 ESR2 (0.35) HDAC2
SCHEMBL8447723 0.85 PTGS1 (0.35) HDAC2NPC1RAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed