SCHEMBL11943528

SCHEMBL11943528

CCCCC(O)c1ccc(C2=CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL11939249 0.96 CTSL (0.31) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL11939235 0.96 CTSL (0.31) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL11939347 0.92 — —
SCHEMBL11939006 0.92 — —
SCHEMBL11939250 0.89 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL11942594 0.89 NAAA (0.30) PDE5AHDAC1HDAC6
SCHEMBL15381632 0.88 CTSL (0.33) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL15381696 0.88 CTSL (0.33) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL15381694 0.88 CTSL (0.34) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL11933289 0.87 CTSL (0.39) CTSLCTSSCTSKPDE5AHDAC1

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
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP disclosed
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