SCHEMBL11619477

SCHEMBL11619477

CCCCCCCCCCCCCC(O)OP(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.69
PTPN1 P18031 1/20 0.58
FDPS P14324 5/20 0.53
S1PR2 O95136 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR4 O95977 4/20 0.50
LAP3 P28838 2/20 0.50
LPAR3 Q9UBY5 3/20 0.48
LPAR1 Q92633 2/20 0.48
LPAR2 Q9HBW0 2/20 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
SCHEMBL2514364 1.00 SMPD1 (0.69) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL2370055 1.00 SMPD1 (0.69) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28470942 1.00 SMPD1 (0.69) SMPD1PTPN1FDPSS1PR2S1PR1
Ammonia Solution, Strong SCHEMBL28408668 0.98 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28701575 0.98 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL8682289 0.98 SMPD1 (0.66) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL210519 0.92 SMPD1 (0.57) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28114269 0.90 SMPD1 (0.57) SMPD1PTPN1S1PR2S1PR1S1PR3
SCHEMBL2370049 0.86 SMPD1 (0.55) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL8408110 0.86 SMPD1 (0.55) SMPD1PTPN1FDPSS1PR2S1PR1

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-4115334-A POLYESTER BASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-19 US disclosed