SCHEMBL8410913

SCHEMBL8410913

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.59
▸ MMP1 P03956 2/20 0.57
▸ PPARG P37231 1/20 0.53
▸ BMP1 P13497 1/20 0.53
▸ CCKBR P32239 3/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ CDC25B P30305 1/20 0.52
▸ ACE P12821 1/20 0.52
▸ ERAP2 Q6P179 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ PRKACB P22694 1/20 0.51

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
SCHEMBL7402598 0.87 MMP1 (0.52) EPHX2MMP1CCKBRMMP2MMP8
SCHEMBL8408670 0.87 EPHX2 (0.48) EPHX2MMP1BMP1CCKBRMMP2
SCHEMBL29791638 0.87 NPBWR1 (0.60) CCKBRPRKACB
SCHEMBL8411410 0.86 MMP1 (0.49) MMP1CCKBRMMP2MMP8ACE
SCHEMBL30129802 0.86 CCKAR (0.54) MMP1CCKBRACEERAP2
SCHEMBL16161422 0.86 CCKAR (0.54) MMP1CCKBRACEERAP2
SCHEMBL16359369 0.86 MEN1 (0.57) EPHX2BMP1ECE1PRKACB
SCHEMBL16620991 0.85 PPARG (0.68) EPHX2PPARGACEERAP2
SCHEMBL30492107 0.85 PRKACB (0.57) EPHX2PPARGBMP1PRKACB
SCHEMBL29485117 0.84 PRKACB (0.55) EPHX2PPARGBMP1ACEPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454651-B1 Novel platelet-aggregation inhibitors MONSANTO CO (US) 1999-07-28 — — EP claimed
EP-0454651-A2 Novel platelet-aggregation inhibitors MONSANTO COMPANY (US) 1991-10-30 — — EP claimed
US-5037808-A Indolyl platelet-aggregation inhibitors MONSANTO CO. (US) 1991-08-06 — — US claimed
EP-0454651-B1 Novel platelet-aggregation inhibitors MONSANTO CO (US) 1999-07-28 — — EP disclosed
US-5091396-A Guanidinoalkanoylaspartylpyridine derivatives; anticoagulants MONSANTO CO. (US) 1992-02-25 — — US disclosed
EP-0454651-A2 Novel platelet-aggregation inhibitors MONSANTO COMPANY (US) 1991-10-30 — — EP disclosed
US-5037808-A Indolyl platelet-aggregation inhibitors MONSANTO CO. (US) 1991-08-06 — — US disclosed
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