SCHEMBL8728102

SCHEMBL8728102

C=CCc1ccc(CC[C@H]2CC[C@H](c3ccc(COCCCCC)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.39
CYP2C9 P11712 1/20 0.35
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8728106 1.00 SPHK1 (0.43) SPHK1SPHK2CYP2C9ESR2ALDH1A1
SCHEMBL8727632 0.91 SPHK1 (0.45) SPHK1SPHK2ALDH1A1
SCHEMBL8727636 0.91 SPHK1 (0.45) SPHK1SPHK2ALDH1A1
SCHEMBL8727072 0.87 SPHK1 (0.43) SPHK1SPHK2ALDH1A1
SCHEMBL8727066 0.87 SPHK1 (0.43) SPHK1SPHK2ALDH1A1
SCHEMBL8732252 0.86 SPHK1 (0.41) SPHK1SPHK2CYP2C9ESR2ALDH1A1
SCHEMBL8732256 0.86 SPHK1 (0.41) SPHK1SPHK2CYP2C9ESR2ALDH1A1
SCHEMBL8725401 0.86 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL8725396 0.86 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL8728046 0.85 SPHK1 (0.46) SPHK1SPHK2

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