SCHEMBL6658822

SCHEMBL6658822

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(O)C(N)C(O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
CYP2D6 P10635 2/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CETP P11597 1/20 0.49
HTT P42858 1/20 0.49
UBE2N P61088 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
CES2 O00748 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL6658366 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6659195 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6657533 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6657773 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6660873 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6662704 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6658154 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6657792 1.00 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL29595659 0.94 CYP2D6 (0.47) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6659708 0.92 SPHK1 (0.50) SPHK1CYP2D6GMNNLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869185-B9 Production of optically active sphingoid compound SUMITOMO CHEMICAL CO (JP) 2004-08-11 EP claimed
EP-0869185-B1 Production of optically active sphingoid compound SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP claimed
EP-0869185-B9 Production of optically active sphingoid compound SUMITOMO CHEMICAL CO (JP) 2004-08-11 EP disclosed
EP-0869185-B1 Production of optically active sphingoid compound SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-6184008-B1 USING AN ESTERASE TO TO SELECTIVELY HYDROLYZE AN ENANTIOMER OF AN ESTER OF DEFINED STRUCTURE TO PRODUCE THE ALCOHOL; COSMETICS; MEDICINAL TREATMENTS FOR SKIN AND HAIR; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY LTD. (JP) 2001-02-06 US disclosed
EP-0869185-A2 Production of optically active sphingoid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-07 EP disclosed