SCHEMBL28746443

SCHEMBL28746443

CCCCCCCCOC(=O)C(CCCCCCCC)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.57
LPAR3 Q9UBY5 3/20 0.49
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
PTPN1 P18031 1/20 0.47
TSHR P16473 2/20 0.45
FDPS P14324 3/20 0.44
NAAA Q02083 1/20 0.44
PLA2G2A P14555 2/20 0.43
S1PR2 O95136 3/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42

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
SCHEMBL21490323 0.89 SMPD1 (0.59) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL5574626 0.81 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL18339529 0.81 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5571344 0.81 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5573002 0.81 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5575193 0.81 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL8819102 0.81 SMPD1 (0.61) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL12518166 0.80 SMPD1 (0.49) SMPD1LPAR3LPAR1LPAR2NAAA
SCHEMBL11173207 0.80 SMPD1 (0.61) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL8376617 0.80 TSHR (0.47) TSHRNAAA

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
CN-114539652-A Black talc modified polyethylene film blowing grade composite material and preparation method thereof 应忠 2022-05-27 CN disclosed