SCHEMBL13586205

SCHEMBL13586205

CCCC(O)C1CCC(c2ccc(C3CCC(/C=C/c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.37
▸ KDM1A O60341 2/20 0.32
▸ TNFRSF1A P19438 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL12718041 0.91 — —
SCHEMBL12718273 0.90 — —
SCHEMBL13586188 0.90 TUBB1 (0.39) TUBB1KDM1ATNFRSF1AFFAR1PPARG
SCHEMBL12716756 0.87 KDM1A (0.36) KDM1A
SCHEMBL12823263 0.87 KDM1A (0.31) KDM1A
SCHEMBL12718670 0.86 TUBB1 (0.37) TUBB1KDM1ATNFRSF1AFFAR1PPARG
SCHEMBL10302985 0.86 TUBB1 (0.35) TUBB1
SCHEMBL13586100 0.86 — —
SCHEMBL12718228 0.86 — —
SCHEMBL12739045 0.84 TUBB1 (0.42) TUBB1KDM1ATNFRSF1AFFAR1PPARG

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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