SCHEMBL8048355

SCHEMBL8048355

CCCCOCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
NOTUM Q6P988 1/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 2/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
RARG P13631 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MMP2 P08253 1/20 0.34
MGLL Q99685 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL8045313 0.97 RARB (0.39) RARBRARANOTUMPPARAPPARD
SCHEMBL8047119 0.95 RARA (0.36) RARBRARANOTUMPPARAPPARD
SCHEMBL8046378 0.91 NOTUM (0.36) RARBRARANOTUMSSTR5KCNH2
SCHEMBL7507636 0.89 NOTUM (0.36) RARBRARANOTUMRARGLTB4R2
SCHEMBL7514451 0.89 NOTUM (0.36) RARBRARANOTUMRARGMGLL
SCHEMBL7518239 0.87 NOTUM (0.38) NOTUMLTB4R2GRIA2GRIA4RXRA
SCHEMBL7516185 0.87 NOTUM (0.39) NOTUMGRIA2GRIA4PGRRXRA
SCHEMBL8045787 0.79 GRIA2 (0.36) NOTUMLTB4R2GRIA2GRIA4RXRA
SCHEMBL8036061 0.79 RARB (0.47) RARBRARARARGMMP2MGLL
SCHEMBL8036180 0.76 RARB (0.43) RARBRARARARGMMP2MGLL

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