SCHEMBL8430957

SCHEMBL8430957

CC(C)OC(=O)N(NC=O)[C@@H](Cc1ccccc1)C(=O)Oc1cccc(NC(=N)N)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.38
F2 P00734 2/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
RAB9A P51151 2/20 0.36
BCHE P06276 7/20 0.36
USP2 O75604 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ACHE P22303 6/20 0.35
LTA4H P09960 1/20 0.35
F7 P08709 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8431230 0.92 RAB9A (0.40) PLAUF2PLGPLATKLKB1
SCHEMBL8432440 0.92 HPGD (0.39) PLAUF2PLGPLATKLKB1
SCHEMBL8432438 0.91 RAB9A (0.37) PLAUF2PLGPLATKLKB1
SCHEMBL8429153 0.91 SIRT2 (0.37) PLAUF2PLGPLATKLKB1
SCHEMBL8431034 0.90 ALDH1A1 (0.41) PLAUF2PLGPLATKLKB1
SCHEMBL8429053 0.89 BACE1 (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL8428894 0.89 BACE1 (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL8432434 0.88 PLAU (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL8431432 0.87 RAB9A (0.36) PLAUF2PLGPLATKLKB1
SCHEMBL8431492 0.86 SMN1; SMN2 (0.34) KLKB1PRSS1RAB9AALDH1A1

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed