SCHEMBL8456530

SCHEMBL8456530

N#Cc1ccc(C2CCC(CC[C@H]3CC[C@H](C/C=C/CCCCF)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
ESR2 Q92731 2/20 0.33
HSD11B1 P28845 1/20 0.33
USP30 Q70CQ3 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL8456536 1.00 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8456527 1.00 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8456544 1.00 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8456540 1.00 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8449179 0.93 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8449183 0.93 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8449168 0.93 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8449172 0.93 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3ESR2
SCHEMBL8453236 0.89 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3HSD11B1
SCHEMBL8453233 0.89 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3HSD11B1

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