SCHEMBL11942594

SCHEMBL11942594

CCCCCC(O)c1ccc(CCC2CC=C(c3ccc(-c4ccc(OCC)c(F)c4F)cc3F)CC2)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 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
SCHEMBL11939323 0.95 NAAA (0.31) NAAAPDE5AHDAC1HDAC6
SCHEMBL11938864 0.90 NAAA (0.31) NAAAPDE5AHDAC1HDAC6
SCHEMBL11939787 0.90 NAAA (0.32) NAAAPDE5AHDAC1HDAC6
SCHEMBL11938845 0.89 PDE5A (0.35) NAAAPDE5AHDAC1HDAC6
SCHEMBL11943528 0.89 CTSL (0.30) PDE5AHDAC1HDAC6
SCHEMBL15381700 0.89 NAAA (0.33) NAAAPDE5AHDAC1HDAC6
SCHEMBL15381635 0.89 NAAA (0.36) NAAAPDE5AHDAC1HDAC6
SCHEMBL11939235 0.86 CTSL (0.31) PDE5AHDAC1HDAC6
SCHEMBL11939249 0.86 CTSL (0.31) PDE5AHDAC1HDAC6
SCHEMBL11943487 0.86 — —

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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