SCHEMBL8957247

SCHEMBL8957247

C=CCOC[C@H](CO)OP(=O)(O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PTPRC P08575 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SLC7A5 Q01650 2/20 0.38
PTGS1 P23219 2/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
XIAP P98170 1/20 0.36
HIF1A Q16665 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ABCB11 O95342 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8697384 0.83 P2RY10 (0.45) PTPN1PTPRCITGB3ITGA2B
SCHEMBL8935176 0.82 P2RY10 (0.41) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL8692789 0.82 ITGB3 (0.47) PTPN1ITGB3ITGA2B
SCHEMBL8957176 0.78 P2RY10 (0.41)
SCHEMBL17997501 0.72 PTPN1 (0.55) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL7025170 0.72 PTPRC (0.52) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL29123731 0.72 PTPRC (0.52) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL524638 0.72 ITGB3 (0.59) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL455152 0.72 ITGB3 (0.59) PTPN1PTPRCITGB3ITGA2BSLC7A5
SCHEMBL9784912 0.72 ITGB3 (0.59) PTPN1PTPRCITGB3ITGA2BSLC7A5

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
US-5554728-A Lipid conjugates of therapeutic peptides and protease inhibitors NEXSTAR PHARMACEUTICALS, INC. (US) 1996-09-10 US claimed
US-5554728-A Lipid conjugates of therapeutic peptides and protease inhibitors NEXSTAR PHARMACEUTICALS, INC. (US) 1996-09-10 US disclosed