SCHEMBL8045313

SCHEMBL8045313

CCCCCOCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.39
RARA P10276 2/20 0.39
NOTUM Q6P988 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
PTPN11 Q06124 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
RARG P13631 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGLL Q99685 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8048355 0.97 RARB (0.41) RARBRARANOTUMEGLN1LTB4R2
SCHEMBL8047119 0.94 RARA (0.36) RARBRARANOTUMEGLN1GRIA2
SCHEMBL8046378 0.91 NOTUM (0.36) RARBRARANOTUMGRIA2GRIA4
SCHEMBL7514451 0.90 NOTUM (0.36) RARBRARANOTUMLTB4R2GRIA2
SCHEMBL7507636 0.89 NOTUM (0.36) RARBRARANOTUMLTB4R2GRIA2
SCHEMBL7518239 0.86 NOTUM (0.38) NOTUMLTB4R2GRIA2GRIA4ALDH1A1
SCHEMBL7516185 0.86 NOTUM (0.39) NOTUMGRIA2GRIA4
SCHEMBL8036180 0.79 RARB (0.43) RARBRARALTB4R2PTPN11GRIA2
SCHEMBL8045787 0.79 GRIA2 (0.36) NOTUMLTB4R2GRIA2GRIA4ALDH1A1
SCHEMBL8036061 0.76 RARB (0.47) RARBRARALTB4R2GRIA2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed