SCHEMBL13586188

SCHEMBL13586188

CCOc1ccc(/C=C/C2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 4/20 0.39
▸ KDM1A O60341 2/20 0.34
▸ TNFRSF1A P19438 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CCR2 P41597 2/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ ACACB O00763 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
SCHEMBL13586205 0.90 TUBB1 (0.37) TUBB1KDM1ATNFRSF1AKMT2AFFAR1
SCHEMBL12718024 0.90 HTR2C (0.33) TUBB1
SCHEMBL12739049 0.88 TUBB1 (0.40) TUBB1KDM1ATNFRSF1AKMT2AKDM4E
SCHEMBL12822763 0.88 HPGD (0.30) —
SCHEMBL12823684 0.87 TUBB1 (0.35) TUBB1KDM1ATNFRSF1AKMT2AKDM4E
SCHEMBL10302984 0.87 TUBB1 (0.37) TUBB1KDM1ATNFRSF1AKMT2AKDM4E
SCHEMBL12739045 0.87 TUBB1 (0.42) TUBB1KDM1ATNFRSF1AKMT2AMEN1
SCHEMBL12739050 0.87 TUBB1 (0.42) TUBB1KDM1ATNFRSF1AKMT2AKDM4E
SCHEMBL12716495 0.86 KDM1A (0.38) KDM1A
SCHEMBL12739037 0.86 TUBB1 (0.41) TUBB1KDM1ATNFRSF1AKMT2AMEN1

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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