SCHEMBL8024926

SCHEMBL8024926

C=CCC[C@H]1CC[C@H](C2CCC(c3ccc(-c4ccc(Cl)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.34
ESR2 Q92731 2/20 0.33
OPRL1 P41146 6/20 0.32
SOAT1 P35610 2/20 0.32
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL19850904 0.89 ESR2 (0.35) DGAT1ESR2SOAT1
SCHEMBL9136523 0.89 OPRL1 (0.34) ESR2OPRL1
SCHEMBL8024986 0.89 ESR2 (0.35) DGAT1ESR2SOAT1
SCHEMBL8034778 0.87
SCHEMBL8034786 0.87
SCHEMBL8034782 0.87
SCHEMBL19850841 0.87 ESR2 (0.35) DGAT1ESR2SOAT1
SCHEMBL19844724 0.86 SLC6A3 (0.35) DGAT1ESR2OPRL1SOAT1
SCHEMBL6141758 0.85 DGAT1 (0.33) DGAT1ESR2OPRL1SOAT1
SCHEMBL6142164 0.85 ESR2 (0.31) ESR2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497176-B1 Four rings compounds and liquid crystal mixtures containing them MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
US-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed
EP-0497176-A2 Four rings compounds and liquid crystal mixtures containing them F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed