SCHEMBL13586393

SCHEMBL13586393

COC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.33
▸ PDE2A O00408 2/20 0.32
▸ HCRTR2 O43614 2/20 0.30
▸ NOTUM Q6P988 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
SCHEMBL12719463 0.90 PDE2A (0.34) TP53PDE2AHCRTR2NOTUM
SCHEMBL12821305 0.90 PDE2A (0.34) TP53PDE2AHCRTR2NOTUM
SCHEMBL12821302 0.90 CYP19A1 (0.33) TP53PDE2AHCRTR2
SCHEMBL12719719 0.89 NAAA (0.34) TP53PDE2AHCRTR2NOTUM
SCHEMBL12822980 0.89 TP53 (0.32) TP53PDE2A
SCHEMBL13586345 0.88 TP53 (0.31) TP53PDE2A
SCHEMBL13586348 0.88 CYP2C9 (0.38) TP53
SCHEMBL13586421 0.88 TP53 (0.30) TP53
SCHEMBL12823501 0.86 NAAA (0.42) TP53
SCHEMBL13586418 0.85 PDE2A (0.30) PDE2A

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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