Sugi Predict

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SCHEMBL8726965

SCHEMBL8726965

C=CC1CCC(c2ccc(-c3ccc(COCCC)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.35
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ SPHK2 Q9NRA0 7/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ GBA1 P04062 1/20 0.31
▸ UGCG Q16739 1/20 0.31
▸ GBA2 Q9HCG7 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL8726962 1.00 SPHK1 (0.35) SPHK1GABRA1GABRB2SPHK2NAAA
SCHEMBL8732588 1.00 SPHK1 (0.35) SPHK1GABRA1GABRB2SPHK2NAAA
SCHEMBL8727183 0.96 SPHK1 (0.33) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8727191 0.96 SPHK1 (0.33) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8727189 0.96 SPHK1 (0.33) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8727862 0.96 SPHK1 (0.38) SPHK1SPHK2ESR2
SCHEMBL8727854 0.96 SPHK1 (0.38) SPHK1SPHK2ESR2
SCHEMBL8731452 0.94 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8731449 0.94 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8725426 0.92 SPHK1 (0.42) SPHK1SPHK2GBA1UGCGGBA2

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
EP-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 — — EP disclosed