SCHEMBL13586201

SCHEMBL13586201

CCc1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ TUBB1 Q9H4B7 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
SCHEMBL12822654 1.00 ALOX5 (0.32) ALOX5PTGS1PTGS2CASP3SENP7
SCHEMBL13586084 0.91 MPL (0.31) —
SCHEMBL13586158 0.91 MPL (0.31) —
SCHEMBL12822762 0.91 BRD4 (0.35) ALOX5PTGS1PTGS2TUBB1
SCHEMBL12994252 0.87 — —
SCHEMBL13586094 0.87 — —
SCHEMBL12823683 0.87 — —
SCHEMBL12906968 0.86 — —
SCHEMBL12823709 0.86 — —
SCHEMBL12822590 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
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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