SCHEMBL13586273

SCHEMBL13586273

C/C=C/C1CCC(c2ccc(C3CCC(OC(=O)c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.31
▸ NAAA Q02083 2/20 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
SCHEMBL12823470 0.94 TP53 (0.32) TP53
SCHEMBL13586345 0.90 TP53 (0.31) TP53
SCHEMBL12823266 0.89 PRKAG1 (0.30) —
SCHEMBL12719719 0.87 NAAA (0.34) TP53NAAA
SCHEMBL12823446 0.87 PDE2A (0.32) TP53
SCHEMBL12823915 0.87 PDE2A (0.32) TP53
SCHEMBL13586267 0.85 CYP19A1 (0.34) TP53NAAA
SCHEMBL12823236 0.84 GSTO1 (0.33) TP53NAAA
SCHEMBL12823653 0.83 NAAA (0.31) NAAA
SCHEMBL12823894 0.83 HIF1A (0.31) —

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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