SCHEMBL8453340

SCHEMBL8453340

N#Cc1ccc(C2CCC(CCC=CC(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
ESR2 Q92731 3/20 0.36
HSD11B1 P28845 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 2/20 0.32
AR P10275 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM1A O60341 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
EGLN2 Q96KS0 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8453332 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL8453328 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL8453344 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL9501669 0.86 GRIA1 (0.40) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL9501663 0.86 GRIA1 (0.40) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL7199394 0.86 GRIA1 (0.40) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL8448943 0.86 GRIA1 (0.40) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL9477255 0.85 ESR2 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL9477263 0.85 ESR2 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1
SCHEMBL9477271 0.85 ESR2 (0.39) GRIA1GRIA2GRIA3ESR2HSD11B1

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