SCHEMBL9240010

SCHEMBL9240010

CCCCCCCCCCCCCCCC(O)C(N)C(O)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.59
S1PR2 O95136 5/20 0.54
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 5/20 0.54
S1PR4 O95977 4/20 0.54
FDPS P14324 4/20 0.53
SPHK1 Q9NYA1 2/20 0.53
CYP2D6 P10635 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CETP P11597 1/20 0.50

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
SCHEMBL7554032 0.81 LAP3 (0.63) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL3290399 0.79 FDPS (0.53) LAP3S1PR2S1PR1S1PR3S1PR4
Phosphoric Acid SCHEMBL16245452 0.78 CYP2D6 (0.63) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL29773364 0.77 SPHK1 (0.65) LAP3SPHK1CYP2D6GMNNLMNA
SCHEMBL9557240 0.76 FDPS (0.59) LAP3S1PR2S1PR1S1PR3S1PR4
Dihydrospingosine SCHEMBL7594434 0.75 CYP2D6 (0.82) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL5270800 0.75 SPHK1 (0.69) LAP3SPHK1CYP2D6GMNNLMNA
SCHEMBL5691588 0.75 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL9307335 0.75 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL5691911 0.75 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4

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
WO-1995021848-A1 SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1995-08-17 WO disclosed
US-5430169-A Method for preparation of sphingoid bases THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-07-04 US disclosed