SCHEMBL9113451

SCHEMBL9113451

CCCCCCCCCCCCCCCC(O)C(N)(CF)COP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 4/20 0.45
SMPD1 P17405 5/20 0.43
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
PTPN1 P18031 1/20 0.42
S1PR4 O95977 3/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR2 O95136 2/20 0.41
LAP3 P28838 1/20 0.41
LPAR5 Q9H1C0 1/20 0.40

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
SCHEMBL12766767 0.81 SGPL1 (0.48) SGPL1SMPD1LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL9116919 0.81 LAP3 (0.44) SMPD1PTPN1S1PR4S1PR1S1PR3
SCHEMBL9240085 0.78 S1PR4 (0.54) SGPL1LPAR3LPAR1LPAR2S1PR4
SCHEMBL15892988 0.78 SGPL1 (0.50) SGPL1SMPD1LPAR3LPAR1LPAR2
SCHEMBL6915675 0.77 SGPL1 (0.44) SGPL1SMPD1LPAR3LPAR1LPAR2
SCHEMBL9245727 0.77 SGPL1 (0.44) SGPL1SMPD1LPAR3LPAR1LPAR2
SCHEMBL11325815 0.74 SMPD1 (0.47) SGPL1SMPD1LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL670802 0.72 LAP3 (0.53) SMPD1S1PR4S1PR1S1PR3S1PR2
Phosphoric Acid SCHEMBL2806140 0.72 LAP3 (0.53) SMPD1S1PR4S1PR1S1PR3S1PR2
Phosphoric Acid SCHEMBL4615576 0.71 LAP3 (0.52) SMPD1S1PR4S1PR1S1PR3S1PR2

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