SCHEMBL8048358

SCHEMBL8048358

CCCCOC[C@H]1CC[C@H](c2ccc(C(=O)O)c(-c3ccc(C#N)c(F)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
RARA P10276 3/20 0.44
MCL1 Q07820 1/20 0.41
RARG P13631 2/20 0.38
EGLN2 Q96KS0 2/20 0.38
KDM1A O60341 9/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8045318 0.97 RARB (0.41) RARBRARAMCL1RARGEGLN2
SCHEMBL8047124 0.95 EGLN2 (0.38) RARBRARAMCL1EGLN2KDM1A
SCHEMBL8046380 0.92 EGLN2 (0.39) EGLN2KDM1A
SCHEMBL7507643 0.90 KDM1A (0.39) RARBRARAMCL1RARGEGLN2
SCHEMBL8678572 0.90 KDM1A (0.39) RARBRARAMCL1RARGEGLN2
SCHEMBL7514456 0.89 RARB (0.39) RARBRARAMCL1RARGEGLN2
SCHEMBL8677220 0.89 RARB (0.39) RARBRARAMCL1RARGEGLN2
SCHEMBL8676866 0.88 CYP2C9 (0.41) EGLN2KDM1AALDH1A1
SCHEMBL5886343 0.88 CYP2C9 (0.41) EGLN2KDM1AALDH1A1
SCHEMBL7516189 0.88 KDM1A (0.41) EGLN2KDM1A

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