SCHEMBL6510371

SCHEMBL6510371

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.48
▸ S1PR3 Q99500 3/20 0.48
▸ S1PR4 O95977 2/20 0.48
▸ S1PR5 Q9H228 2/20 0.48
▸ FABP3 P05413 1/20 0.47
▸ GSTM2 P28161 1/20 0.46
▸ LPAR3 Q9UBY5 7/20 0.44
▸ LPAR1 Q92633 4/20 0.44
▸ SELP P16109 1/20 0.43
▸ ENPP2 Q13822 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ LPAR2 Q9HBW0 2/20 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
SCHEMBL6704299 1.00 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL2360799 0.96 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL4222844 0.94 FABP3 (0.50) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL4419953 0.93 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL29523085 0.92 FABP3 (0.59) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL15500035 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL17240248 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL12272715 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL6762713 0.89 GSTM2 (0.57) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL30139964 0.88 S1PR4 (0.54) S1PR1S1PR3S1PR4S1PR5SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590656-A1 IDENTIFICATION LABELS IN PLANTS OR PLANT PARTS Plant Research International B.V. (NL) 2005-11-02 — — EP claimed
WO-2004065945-A1 IDENTIFICATION LABELS IN PLANTS OR PLANT PARTS PLANT RESEARCH INTERNATIONAL B.V. (NL) 2004-08-05 — — WO claimed
EP-4051726-A1 CURABLE COMPOSITIONS OF BENZOXAZINE AND PHTHALONITRILE RESINS Huntsman Advanced Materials Americas LLC (US) 2022-09-07 — — EP disclosed
EP-4051727-A1 PHTHALONITRILE RESINS, METHODS OF MAKING SAME AND COMPOSITIONS THEREOF Huntsman Advanced Materials Americas LLC (US) 2022-09-07 — — EP disclosed
WO-2021087197-A1 CURABLE COMPOSITIONS OF BENZOXAZINE AND PHTHALONITRILE RESINS HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2021-05-06 — — WO disclosed
WO-2021087193-A1 PHTHALONITRILE RESINS, METHODS OF MAKING SAME AND COMPOSITIONS THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2021-05-06 — — WO disclosed
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