SCHEMBL13604196

SCHEMBL13604196

CCCCCC1CCC(c2ccc(C3CCC(C4CCC(C)(C)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.40
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL729414 0.85 GPR119 (0.37) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL9249405 0.85 GAA (0.37) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL9249400 0.85 GAA (0.37) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL730030 0.84 MAPT (0.36) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL13110480 0.84 OPRL1 (0.38) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL12140862 0.84 OPRL1 (0.38) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL26044813 0.83 MAPT (0.36) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL20969242 0.83 MAPT (0.36) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL18559471 0.82 MAPT (0.42) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL9406123 0.82 MAPT (0.35) OPRL1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009145101-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-03 WO disclosed