SCHEMBL7615513

SCHEMBL7615513

CCCCCC(O)C(C)CCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
SPHK1 Q9NYA1 2/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
PTPN1 P18031 1/20 0.49
CYP2D6 P10635 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48

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
Octacosanol SCHEMBL3907484 0.98 SPHK1 (0.55) SMN1; SMN2SPHK1LMNAALDH1A1MEN1
SCHEMBL4256196 0.94 SPHK1 (0.50) SMN1; SMN2SPHK1LMNAALDH1A1MEN1
SCHEMBL9626184 0.91 SPHK1 (0.60) SPHK1LMNAPTPN1CYP2D6GMNN
SCHEMBL30018032 0.89 SPHK1 (0.48) SMN1; SMN2SPHK1LMNAALDH1A1MEN1
SCHEMBL13817351 0.89 SPHK1 (0.48) SMN1; SMN2SPHK1LMNAALDH1A1MEN1
SCHEMBL10952296 0.89 SPHK1 (0.64) SPHK1LMNAPTPN1CYP2D6GMNN
SCHEMBL18186112 0.89 SPHK1 (0.64) SPHK1LMNAPTPN1CYP2D6GMNN
SCHEMBL18186106 0.89 SPHK1 (0.64) SPHK1LMNAPTPN1CYP2D6GMNN
SCHEMBL4956325 0.89 SPHK1 (0.64) SPHK1LMNAPTPN1CYP2D6GMNN
SCHEMBL20856812 0.89 SPHK1 (0.64) SPHK1LMNAPTPN1CYP2D6GMNN

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-1007206-A4 PHOSPHORUS/VANADIUM CATALYST PREPARATION SCIENT DESIGN CO (US) 2002-05-15 EP disclosed
EP-1007206-A1 PHOSPHORUS/VANADIUM CATALYST PREPARATION Scientific Design Company Inc. (US) 2000-06-14 EP disclosed
WO-1999006143-A1 PHOSPHORUS/VANADIUM CATALYST PREPARATION SCIENTIFIC DESIGN COMPANY, INC. (US) 1999-02-11 WO disclosed