SCHEMBL8732129

SCHEMBL8732129

CCC/C=C/C1CCC(c2ccc(COCCC)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.35
HDAC2 Q92769 1/20 0.34
SPHK2 Q9NRA0 7/20 0.32
ESR2 Q92731 1/20 0.30
DRD2 P14416 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
SCHEMBL8732135 1.00 SPHK1 (0.35) SPHK1HDAC2SPHK2ESR2DRD2
SCHEMBL8732125 1.00 SPHK1 (0.35) SPHK1HDAC2SPHK2ESR2DRD2
SCHEMBL8726944 0.94 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8726934 0.94 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8726937 0.94 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8730637 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8730624 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8730629 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8732409 0.91 SPHK1 (0.36) SPHK1HDAC2SPHK2ESR2DRD2
SCHEMBL8732410 0.91 SPHK1 (0.36) SPHK1HDAC2SPHK2ESR2DRD2

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