SCHEMBL13866547

SCHEMBL13866547

CCOC(=O)N1CCN(C(=O)[C@@H](N)Cc2cccc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 8/20 0.41
▸ PLG P00747 5/20 0.41
▸ F2 P00734 4/20 0.41
▸ F10 P00742 4/20 0.41
▸ ST14 Q9Y5Y6 4/20 0.41
▸ PLAT P00750 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ NOS3 P29474 1/20 0.37

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
SCHEMBL13795553 0.82 PLAU (0.64) PLAUPLGF2F10ST14
SCHEMBL207904 0.76 PDK1 (0.47) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL12891391 0.74 LTA4H (0.42) —
SCHEMBL316880 0.72 LMNA (0.50) ALDH1A1LMNASLC7A5SMN1; SMN2CYP1A2
SCHEMBL316881 0.72 LMNA (0.50) ALDH1A1LMNASLC7A5SMN1; SMN2CYP1A2
SCHEMBL20057655 0.71 CYP17A1 (0.39) ALDH1A1
SCHEMBL17569733 0.71 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2
SCHEMBL19275814 0.71 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2
SCHEMBL2908042 0.71 TSHR (0.63) PLAUMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30337959 0.71 TSHR (0.63) PLAUMAPTALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538216-B2 Guanidino phenylalanin compounds used as urokinase inhibitors WILEX AG (DE) 2009-05-26 — — US disclosed
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