SCHEMBL6003630

SCHEMBL6003630

CCCCCCCCCCCCCCCCCCOCCC(OC(=O)C(C)O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
CES2 O00748 2/20 0.39
HTT P42858 2/20 0.38
PLA2G2C Q5R387 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
NAAA Q02083 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3626496 0.79 HTT (0.41) SPHK1CES2HTTPLA2G2CMAPT
SCHEMBL10788428 0.75 ZDHHC7 (0.49) SPHK1CES2HTTPLA2G2CMAPT
SCHEMBL15096710 0.75 HTT (0.52) SPHK1CES2HTTMAPTMEN1
SCHEMBL787995 0.75 HTT (0.52) SPHK1CES2HTTMAPTMEN1
SCHEMBL15096711 0.75 HTT (0.52) SPHK1CES2HTTMAPTMEN1
SCHEMBL18047368 0.75 HTT (0.52) SPHK1CES2HTTMAPTMEN1
SCHEMBL15096709 0.75 HTT (0.52) SPHK1CES2HTTMAPTMEN1
Ammonia Solution, Strong SCHEMBL5190041 0.73 MEN1 (0.51) SPHK1CES2HTTPLA2G2CMAPT
Lactic Acid SCHEMBL27962244 0.72 CES2 (0.53) SPHK1CES2HTTPLA2G2CMAPT
Lactic Acid SCHEMBL27991357 0.72 CES2 (0.53) SPHK1CES2HTTPLA2G2CMAPT

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-1656926-B1 HAIR COSMETIC COMPOSITION KAO CORP (JP) 2012-06-06 EP disclosed
EP-1656926-A1 HAIR CARE PRODUCT Kao Corporation (JP) 2006-05-17 EP disclosed