SCHEMBL7255333

SCHEMBL7255333

N=C(N)NCCOc1ccc(C(=O)NCC(NC(N)=O)C(=O)O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
PLAT P00750 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 7/20 0.39
ITGAV P06756 3/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ITGA2B P08514 4/20 0.36
PPARD Q03181 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35
TAS1R3 Q7RTX0 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
SCHEMBL7251419 0.94 MEN1 (0.42) F10PLAUF2PLATMEN1
SCHEMBL7030722 0.91 F10 (0.40) F10PLAUF2PLATMEN1
SCHEMBL7032387 0.90 F10 (0.40) F10PLAUF2PLATMEN1
SCHEMBL7037813 0.90 ITGB3 (0.49) F10PLAUF2PLATMEN1
SCHEMBL7037933 0.89 ITGB3 (0.46) F10PLAUF2PLATMEN1
SCHEMBL7037677 0.89 ITGB3 (0.45) F10MEN1POLBKMT2AITGB3
SCHEMBL7037166 0.89 PLAU (0.43) F10PLAUF2PLATMEN1
SCHEMBL7037936 0.89 F10 (0.39) F10PLAUF2PLATMEN1
SCHEMBL7039155 0.89 F10 (0.43) F10PLAUF2PLATMEN1
SCHEMBL7036018 0.88 F10 (0.42) F10PLAUF2PLATMEN1

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-6586187-B1 2-benzyloxycarbonylamino-3-(2-(4-(2-(3-benzylureido)-ethyl) -piperazin-1-yl)acetylamino)-propionic acid, for example; method of synthesis using Wang resins; various uses including anticancer, antiinflammatory and antiviral agents WYETH 2003-07-01 US disclosed
WO-2000061545-A1 METHODS FOR SOLID PHASE COMBINATORIAL SYNTHESIS OF INTEGRIN INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-19 WO disclosed