SCHEMBL8727338

SCHEMBL8727338

C=CCCCC1CCC(c2ccc(-c3ccc(COCCCC)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.35
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
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL8727334 1.00 SPHK1 (0.36) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8731045 0.97 SPHK1 (0.38) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8731052 0.97 SPHK1 (0.38) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8730295 0.96 SPHK1 (0.39) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8730290 0.96 SPHK1 (0.39) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8726753 0.95 CYP2C9 (0.36) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8726751 0.95 CYP2C9 (0.36) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8728169 0.94 SPHK1 (0.37) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8728177 0.94 SPHK1 (0.37) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL8730563 0.93 SPHK1 (0.40) SPHK1CYP2C9ESR2ALDH1A1LMNA

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