Sugi Predict

Sugi Predict / Compounds / SCHEMBL8934749

SCHEMBL8934749

SCHEMBL8934749

CC/C=C\Cc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCCC)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 7/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 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
SCHEMBL8961629 0.96 OPRL1 (0.31) OPRL1DGAT1
SCHEMBL8934779 0.94 OPRL1 (0.32) OPRL1DGAT1GAAMAPT
SCHEMBL8934771 0.91 OPRL1 (0.31) OPRL1DGAT1GAAMAPT
SCHEMBL8935710 0.90 GAA (0.32) GAAMAPT
SCHEMBL8961651 0.90 OPRL1 (0.31) OPRL1DGAT1
SCHEMBL8961611 0.89 DGAT1 (0.33) OPRL1DGAT1
SCHEMBL8934198 0.88 DGAT1 (0.36) OPRL1DGAT1GAAMAPT
SCHEMBL8963291 0.88 GAA (0.31) GAAMAPT
SCHEMBL8961647 0.88 OPRL1 (0.30) OPRL1DGAT1
SCHEMBL8934134 0.88 OPRL1 (0.34) OPRL1DGAT1GAAMAPT

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-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 — — EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed