Sugi Predict

Sugi Predict / Compounds / SCHEMBL18079278

SCHEMBL18079278

SCHEMBL18079278

CCCCCC1CCC(C2CCC(CCc3ccc(OCCCCCCCOc4ccc(CCC5CCC(C6CCC(CCCCC)CC6)CC5)c(F)c4F)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.37
▸ CNR1 P21554 9/20 0.37
▸ PLA2G2D Q9UNK4 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL3437342 0.93 CNR2 (0.31) CNR2CNR1
SCHEMBL22277554 0.93 CNR2 (0.31) CNR2CNR1
SCHEMBL9630246 0.92 RIPK1 (0.35) CNR2CNR1
SCHEMBL9630298 0.92 RIPK1 (0.35) CNR2CNR1
SCHEMBL9630242 0.92 RIPK1 (0.35) CNR2CNR1
SCHEMBL9630303 0.92 RIPK1 (0.35) CNR2CNR1
SCHEMBL9631488 0.91 RIPK1 (0.34) CNR2CNR1
SCHEMBL9631484 0.91 RIPK1 (0.34) CNR2CNR1
SCHEMBL9631308 0.91 RIPK1 (0.36) CNR2
SCHEMBL9631301 0.91 RIPK1 (0.36) CNR2

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-2016143634-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL JNC株式会社 2016-09-15 — — WO disclosed