SCHEMBL7208037

SCHEMBL7208037

CCCCOC(=O)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.54
▸ KMT2A Q03164 1/20 0.49
▸ PTPN1 P18031 3/20 0.46
▸ TNF P01375 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ MDM2 Q00987 1/20 0.45

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
SCHEMBL7713440 0.92 TLR2 (0.57) TLR2KMT2APTPN1TNFCASP3
SCHEMBL30434908 0.92 TLR2 (0.57) TLR2KMT2APTPN1TNFCASP3
SCHEMBL27093964 0.88 TLR2 (0.62) TLR2KMT2APTPN1TNFCASP3
SCHEMBL27093960 0.88 TLR2 (0.62) TLR2KMT2APTPN1TNFCASP3
SCHEMBL38664780 0.86 TLR2 (0.54) TLR2KMT2APTPN1TNFCASP3
SCHEMBL30919288 0.84 KMT2A (0.54) TLR2KMT2APTPN1CASP3MDM2
SCHEMBL17826082 0.83 KMT2A (0.56) TLR2KMT2APTPN1CASP3MDM2
SCHEMBL12928621 0.83 KMT2A (0.56) TLR2KMT2APTPN1CASP3MDM2
SCHEMBL13658468 0.83 KMT2A (0.56) TLR2KMT2APTPN1CASP3MDM2
SCHEMBL29400679 0.83 KMT2A (0.56) TLR2KMT2APTPN1CASP3MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871464-B1 BRADYKININ ANALOGS AS SELECTIVE THROMBIN INHIBITORS UNIV MICHIGAN (US) 2003-04-02 — — EP disclosed
EP-0871464-A4 BRADYKININ ANALOGS AS SELECTIVE THROMBIN INHIBITORS UNIV MICHIGAN (US) 2001-05-16 — — EP disclosed
US-6143719-A INHIBITING THROMBIN-INDUCED CELL ACTIVATION MEDIATED BY THROMBIN RECEPTOR BY INHIBITING CLEAVAGE OF THROMBIN RECEPTOR ON CELLS BY ADMINISTERING PEPTIDE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-11-07 — — US disclosed
EP-0871464-A1 BRADYKININ ANALOGS AS SELECTIVE THROMBIN INHIBITORS THE BOARD OF REGENTS acting for and on behalf of THE UNIVERSITY OF MICHIGAN (US) 1998-10-21 — — EP disclosed
WO-1996041640-A1 BRADYKININ ANALOGS AS SELECTIVE THROMBIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-12-27 — — WO disclosed
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