SCHEMBL10896372

SCHEMBL10896372

CC(C)(C)OC(=O)CN1CCCCCCC(Br)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.43
PLA2G5 P39877 2/20 0.43
ROCK2 O75116 1/20 0.37
MMP1 P03956 6/20 0.36
MMP3 P08254 6/20 0.36
HPGD P15428 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
ELANE P08246 1/20 0.35
EPHX1 P07099 1/20 0.35
ACE P12821 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 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
SCHEMBL10911583 1.00 PLA2G10 (0.43) PLA2G10PLA2G5ROCK2MMP1MMP3
SCHEMBL10954499 0.99 PLA2G10 (0.43) PLA2G10PLA2G5ROCK2MMP1MMP3
SCHEMBL7617915 0.89 PLA2G10 (0.46) PLA2G10PLA2G5ROCK2F2F10
SCHEMBL7617920 0.89 PLA2G10 (0.46) PLA2G10PLA2G5ROCK2F2F10
SCHEMBL10913722 0.84 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD
SCHEMBL10913716 0.84 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD
SCHEMBL10914780 0.84 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD
SCHEMBL10914619 0.84 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD
SCHEMBL10895110 0.84 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD
SCHEMBL10691419 0.82 PLA2G10 (0.43) PLA2G10PLA2G5MMP1MMP3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4587238-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1986-05-06 US disclosed
EP-0046292-B1 SUBSTITUTED CAPRYLOLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THEM MERCK & CO. INC. (US) 1983-11-16 EP disclosed
EP-0046292-A1 Substituted caprylolactam derivatives as antihypertensives, process for preparing and pharmaceutical composition comprising them MERCK & CO. INC. (US) 1982-02-24 EP disclosed