SCHEMBL4601349

SCHEMBL4601349

CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(C[C@H](C)c4ccccc4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
P2RX7 Q99572 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
SCHEMBL14219918 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4601353 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4601352 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4601351 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14220016 0.87 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219908 0.86 OPRM1 (0.30) OPRM1
SCHEMBL14219933 0.86 MAOB (0.35) OPRM1
SCHEMBL14219963 0.86 MAOB (0.35) OPRM1
SCHEMBL18698999 0.83 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219938 0.82 POLB (0.38) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed
US-7108895-B2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-1650286-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650284-A2 Liquid crystal composition containing an optical active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650285-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
US-20040079922-A1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1371712-A1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT Seimi Chemical Co., Ltd. (JP) 2003-12-17 EP disclosed