SCHEMBL12836670

SCHEMBL12836670

CCCc1ccc(C2CCC(CCc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ OPRL1 P41146 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
SCHEMBL12836028 1.00 CTSL (0.34) CTSLCTSSCTSKOPRL1
SCHEMBL12224495 0.97 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL12223445 0.95 OPRL1 (0.32) OPRL1
SCHEMBL13654142 0.95 OPRL1 (0.32) OPRL1
SCHEMBL12823381 0.91 CYP2C9 (0.33) OPRL1
SCHEMBL12822719 0.91 CYP2C9 (0.33) OPRL1
SCHEMBL12223001 0.88 OPRL1 (0.31) OPRL1
SCHEMBL12223428 0.88 — —
SCHEMBL13586496 0.88 OPRL1 (0.32) OPRL1
SCHEMBL12906891 0.88 OPRL1 (0.32) OPRL1

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-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
Send feedback