SCHEMBL4650931

SCHEMBL4650931

CCC[C@H]1CC[C@H](c2c(C(=O)O)cccc2-c2ccc(C#N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.43
BRS3 P32247 1/20 0.38
CYP11B2 P19099 6/20 0.37
CYP11B1 P15538 4/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.36
LAP3 P28838 1/20 0.36
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
ADORA2A P29274 1/20 0.35
CREBBP Q92793 1/20 0.35
PPARG P37231 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL4651858 0.94 LTB4R2 (0.46) LTB4R2BRS3CYP11B2CYP11B1CHRM3
SCHEMBL4651871 0.93 LTB4R2 (0.46) LTB4R2BRS3CYP11B2CYP11B1CHRM3
SCHEMBL11418058 0.85 LTB4R2 (0.39) LTB4R2BRS3CYP11B2CYP11B1CHRM3
SCHEMBL4828276 0.85 LTB4R2 (0.41) LTB4R2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9447323 0.84 LTB4R2 (0.43) LTB4R2BRS3PPARG
SCHEMBL4826752 0.84 LTB4R2 (0.43) LTB4R2BRS3PPARG
SCHEMBL4820159 0.84 KDM1A (0.38) CYP11B2CYP11B1CHRM4SLC22A12
SCHEMBL8043476 0.81 LTB4R2 (0.42) LTB4R2BRS3CYP2C9CHRM3CHRM4
SCHEMBL8676752 0.80 CYP2C9 (0.44) LTB4R2CYP11B2CYP11B1CYP2C9ALDH1A1
SCHEMBL8527592 0.80 CYP2C9 (0.44) LTB4R2CYP11B2CYP11B1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP claimed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US claimed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
EP-1599562-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES Nemoptic (FR) 2005-11-30 EP claimed
US-20040188654-A1 Nematic liquid crystal mixtures for bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2004-09-30 US claimed
WO-2004077390-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2004-09-10 WO claimed
EP-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP disclosed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed
US-7115307-B2 Nematic liquid crystal mixtures for bistable display device NEMOPTIC (FR) 2006-10-03 US disclosed
EP-1599562-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES Nemoptic (FR) 2005-11-30 EP disclosed
US-20040188654-A1 Nematic liquid crystal mixtures for bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2004-09-30 US disclosed
WO-2004077390-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2004-09-10 WO disclosed