SCHEMBL8727783

SCHEMBL8727783

CCC=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCC)cc4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
HDAC2 Q92769 1/20 0.33
SPHK2 Q9NRA0 7/20 0.30
NAAA Q02083 1/20 0.30
GBA1 P04062 1/20 0.30
UGCG Q16739 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL8727780 1.00 SPHK1 (0.34) SPHK1HDAC2SPHK2NAAAGBA1
SCHEMBL8727775 1.00 SPHK1 (0.34) SPHK1HDAC2SPHK2NAAAGBA1
SCHEMBL8732041 0.96 SPHK1 (0.32) SPHK1HDAC2
SCHEMBL8732039 0.96 SPHK1 (0.32) SPHK1HDAC2
SCHEMBL8732033 0.96 SPHK1 (0.32) SPHK1HDAC2
SCHEMBL8728443 0.90 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8728439 0.90 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8728435 0.90 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8730413 0.89 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8731236 0.89 SPHK1 (0.35) SPHK1HDAC2SPHK2NAAAGBA1

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