SCHEMBL7402598

SCHEMBL7402598

N=C(N)NCCCCCCCNC(=O)NN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ ACE P12821 2/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ CDC25B P30305 1/20 0.48
▸ ECE1 P42892 3/20 0.48
▸ CCKBR P32239 1/20 0.48

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
SCHEMBL8410913 0.87 EPHX2 (0.59) MMP1MMP2MMP8ACEEPHX2
SCHEMBL7398177 0.84 LMNA (0.45) EPHX2KMT2A
SCHEMBL7397648 0.84 LMNA (0.45) EPHX2KMT2A
SCHEMBL8411410 0.84 MMP1 (0.49) MMP1MMP2MMP8ACELTA4H
SCHEMBL31074790 0.83 MMP1 (0.51) MMP1MMP2MMP8ACE
SCHEMBL31074780 0.82 ERAP2 (0.51) MMP1MMP2MMP8ACECCKBR
SCHEMBL31484223 0.82 ERAP2 (0.51) MMP1MMP2MMP8ACECCKBR
SCHEMBL30391075 0.82 ACE (0.57) ACEECE1
SCHEMBL30688662 0.81 MMP1 (0.51) MMP1MMP2MMP8ACEKMT2A
SCHEMBL30053160 0.81 KISS1R (0.50) MMP1MMP2MMP8ACEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 — — US claimed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 — — WO claimed
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 — — US disclosed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 — — WO disclosed
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