SCHEMBL12836565

SCHEMBL12836565

CCCc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ FPR2 P25090 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
SCHEMBL12223940 0.96 HPGD (0.33) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12222996 0.90 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL11933369 0.89 CTSL (0.40) CTSLCTSSCTSKMEN1RAB9A
SCHEMBL11933227 0.89 CTSL (0.40) CTSLCTSSCTSKMEN1RAB9A
SCHEMBL12717614 0.87 ALOX5AP (0.33) MEN1KMT2AHPGDFPR2
SCHEMBL12197140 0.87 CTSL (0.38) CTSLCTSSCTSKMEN1RAB9A
SCHEMBL12836553 0.86 HPGD (0.36) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12197281 0.85 HPGD (0.41) CTSLCTSSCTSKMEN1RAB9A
SCHEMBL12836676 0.85 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL11933229 0.85 CNR2 (0.34) CTSLCTSSCTSKMEN1RAB9A

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
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