SCHEMBL8935176

SCHEMBL8935176

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 9/20 0.41
GPR174 Q9BXC1 8/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SLC7A5 Q01650 2/20 0.39
PTGS1 P23219 2/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
XIAP P98170 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL8957247 0.82 PTPN1 (0.41) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL8935189 0.82 P2RY10 (0.58) P2RY10GPR174GPR34
SCHEMBL8934963 0.81 P2RY10 (0.60) P2RY10GPR174GPR34
SCHEMBL26642736 0.79 P2RY10 (0.56) P2RY10GPR174CA1CA2CA7
SCHEMBL28398615 0.74 SLC7A5 (0.56) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL17997501 0.73 PTPN1 (0.55) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL7025170 0.73 PTPRC (0.52) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL29123731 0.73 PTPRC (0.52) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL524638 0.73 ITGB3 (0.59) PTPRCPTPN1ITGB3ITGA2BSLC7A5
SCHEMBL455152 0.73 ITGB3 (0.59) PTPRCPTPN1ITGB3ITGA2BSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596024-A4 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS. VESTAR INC (US) 1996-07-17 EP disclosed
EP-0596024-A1 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS NeXstar Pharmaceuticals, Inc. (US) 1994-05-11 EP disclosed
WO-1993001828-A1 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS VICAL, INC. (US) 1993-02-04 WO disclosed