SCHEMBL8680778

SCHEMBL8680778

CCCc1ccc(C2CCC(COC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.42
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10860757 0.95 SPHK1 (0.44) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9064879 0.89 SPHK1 (0.62) SPHK1SPHK2ALDH1A1LMNA
SCHEMBL14190727 0.86 SPHK1 (0.47) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL4323763 0.84 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL10816245 0.84 CYP2C9 (0.43) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9346694 0.83 SPHK1 (0.53) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL12736282 0.83 EP300 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11466853 0.81 CYP2C9 (0.58) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10486078 0.81 CYP2C9 (0.58) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL11466923 0.81 CYP2C9 (0.58) SPHK1SPHK2CYP2C9ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58134046-A None JP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed
JP-S58134046-A TRNS-4-ALKYLOXYMETHYL-1-(4'-ALKYLBIPHENYLYL-4-CYCLOEXANES CHISSO CORP 1983-08-10 JP disclosed