SCHEMBL5163796

SCHEMBL5163796

C[C@H](C(=O)c1cc(F)cc(F)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
SLC6A3 Q01959 1/20 0.47
NR1I2 O75469 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 1/20 0.45
PTGS2 P35354 5/20 0.44
PTGS1 P23219 4/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5163803 1.00 CES2 (0.50) CES2CES1SLC6A3NR1I2TRPM8
SCHEMBL681159 0.84 NPC1 (0.58) CES2CES1NPC1MAPTSMN1; SMN2
SCHEMBL10894082 0.81 TDP1 (0.61) CES2CES1PTGS2PTGS1MAPT
SCHEMBL702447 0.81 TDP1 (0.61) CES2CES1PTGS2PTGS1MAPT
SCHEMBL19997374 0.80 CES2 (0.72) CES2CES1SLC6A3NR1I2TRPM8
SCHEMBL17483917 0.80 NPC1 (0.50) CES2CES1NPC1PTGS2SMN1; SMN2
SCHEMBL30076063 0.79 CES2 (0.57) CES2CES1PTGS2PTGS1MAPT
SCHEMBL28956816 0.79 CES2 (0.57) CES2CES1PTGS2PTGS1MAPT
SCHEMBL7211288 0.76 PTGS2 (0.41) CES2CES1PTGS2PTGS1MAPT
SCHEMBL28277704 0.75 HDAC3 (0.55) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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-1371712-B1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT SEIMI CHEM KK (JP) 2007-04-11 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