SCHEMBL8430545

SCHEMBL8430545

CC(C)(C)OC(=O)NC1CCCCN(CCC(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
MMP1 P03956 9/20 0.43
MMP3 P08254 9/20 0.43
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.39
SRC P12931 2/20 0.39

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
SCHEMBL7349860 1.00 F2 (0.49) F2F10PRSS1MMP1MMP3
SCHEMBL12494278 0.89 F2 (0.48) F2F10PRSS1MMP1MMP3
SCHEMBL17770856 0.89 F2 (0.48) F2F10PRSS1MMP1MMP3
SCHEMBL15130754 0.88 F2 (0.51) F2F10PRSS1MMP1MMP3
SCHEMBL3724402 0.88 F2 (0.56) F2F10PRSS1MMP1MMP3
SCHEMBL5640985 0.88 F2 (0.56) F2F10PRSS1MMP1MMP3
SCHEMBL7471624 0.86 MMP1 (0.49) F2F10PRSS1MMP1MMP3
SCHEMBL21165916 0.85 F2 (0.53) F2F10PRSS1MMP1MMP3
SCHEMBL15132431 0.85 F2 (0.48) F2F10PRSS1MMP1MMP3
SCHEMBL10265431 0.85 F2 (0.48) F2F10PRSS1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed