SCHEMBL8566595

SCHEMBL8566595

CCCC=CCCCCc1ccnc(-c2ccc(CCCCCC(C)O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.38
SPHK2 Q9NRA0 3/20 0.37
SPHK1 Q9NYA1 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.35
TRPV3 Q8NET8 5/20 0.35

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
SCHEMBL8566480 0.78 SPHK2 (0.31) SPHK2SPHK1
SCHEMBL8669761 0.75 ALDH1A1 (0.52) ASAH2SPHK2SPHK1KDM4EMEN1
SCHEMBL8565168 0.75 ALDH1A1 (0.52) ASAH2SPHK2SPHK1KDM4EMEN1
SCHEMBL8566599 0.75 PPARA (0.38) ASAH2FAAH
SCHEMBL10340464 0.71 MEN1 (0.46) SPHK2SPHK1KDM4EMEN1USP2
SCHEMBL10340532 0.71 MEN1 (0.46) SPHK2SPHK1KDM4EMEN1USP2
SCHEMBL8571151 0.70 RARB (0.51) ASAH2SPHK2SPHK1KDM4EMEN1
SCHEMBL8668785 0.70 RARB (0.51) ASAH2SPHK2SPHK1KDM4EMEN1
SCHEMBL9817600 0.70 HRH3 (0.47) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL9817441 0.70 HRH3 (0.47) KDM4EMEN1USP2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed