SCHEMBL4529802

SCHEMBL4529802

CCCCCCCCCCC(N)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.67
LAP3 P28838 2/20 0.58
S1PR2 O95136 5/20 0.58
S1PR1 P21453 5/20 0.58
S1PR3 Q99500 5/20 0.58
S1PR4 O95977 4/20 0.58
PTPN1 P18031 1/20 0.53
FDPS P14324 4/20 0.52
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47

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
SCHEMBL28902981 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL7124914 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL304503 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL28679257 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL28882634 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL8377533 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL29037382 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL2745581 1.00 SMPD1 (0.67) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL27862599 0.98 SMPD1 (0.65) SMPD1LAP3S1PR2S1PR1S1PR3
SCHEMBL28814 0.98 SMPD1 (0.63) SMPD1LAP3S1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed