SCHEMBL8670843

SCHEMBL8670843

CCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)OC3CCCCO3)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARB P10826 1/20 0.34
TNNC1 P63316 1/20 0.34
SPHK2 Q9NRA0 12/20 0.33
SPHK1 Q9NYA1 7/20 0.33
ASAH2 Q9NR71 1/20 0.32
CTSD P07339 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8564925 0.83 RAB9A (0.37) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL8566480 0.81 SPHK2 (0.31) SPHK2SPHK1
SCHEMBL8602508 0.78 MEN1 (0.33) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL8668136 0.77 RAB9A (0.52) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL8669761 0.77 ALDH1A1 (0.52) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL8565168 0.77 ALDH1A1 (0.52) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL8571876 0.77 RAB9A (0.52) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL28900411 0.73 ALDH1A1 (0.37) MEN1ALDH1A1KMT2ASPHK2SPHK1
SCHEMBL9345707 0.72 RARB (0.41) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL9345719 0.72 RARB (0.41) 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 2 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
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