SCHEMBL28837485

SCHEMBL28837485

CCCCCCCCCCCC(OCC)OP(=O)(O)O.[KH]

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.77
PTPN1 P18031 1/20 0.49
FDPS P14324 5/20 0.47
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
LAP3 P28838 2/20 0.44
LPAR3 Q9UBY5 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43

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
SCHEMBL28837479 1.00 SMPD1 (0.77) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL9773574 0.89 SMPD1 (0.66) SMPD1PTPN1S1PR2S1PR1S1PR3
SCHEMBL28982847 0.83 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL2422956 0.83 SMPD1 (0.57) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL21248241 0.81 SMPD1 (0.68) SMPD1PTPN1FDPSS1PR2S1PR1
Phosphoric Acid SCHEMBL6882386 0.79 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
Potassium Ion SCHEMBL28837478 0.79 SMPD1 (0.51) SMPD1PTPN1FDPSS1PR2S1PR1
Potassium Ion SCHEMBL28837484 0.79 SMPD1 (0.51) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL27619278 0.79 LPAR3 (0.57) SMPD1LPAR3LPAR1LPAR2
SCHEMBL27600805 0.79 LPAR3 (0.57) SMPD1LPAR3LPAR1LPAR2

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
CN-115045009-A Oil agent for high-modulus para-aramid fiber and preparation method thereof 蓝星(成都)新材料有限公司 2022-09-13 CN claimed
CN-115045009-A Oil agent for high-modulus para-aramid fiber and preparation method thereof 蓝星(成都)新材料有限公司 2022-09-13 CN disclosed