Sugi Predict

Sugi Predict / Compounds / SCHEMBL7365717

SCHEMBL7365717

SCHEMBL7365717

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N(c1ccccc1)C(C(=O)Nc1n[nH]c(=S)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.43
▸ CTRB1 P17538 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP3 P08254 9/20 0.40
▸ MMP1 P03956 5/20 0.40
▸ TACR1 P25103 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7358596 0.78 MMP3 (0.46) MMP3MMP1
SCHEMBL7361281 0.75 MMP2 (0.48) CTRB1KDM4ELMNAMMP3MMP1
SCHEMBL7361277 0.75 MMP2 (0.48) CTRB1KDM4ELMNAMMP3MMP1
SCHEMBL7398436 0.75 MMP1 (0.45) MMP3MMP1
SCHEMBL7361471 0.74 MMP3 (0.45) MMP3MMP1
SCHEMBL11243030 0.74 CTRB1 (0.66) ACECTRB1HDAC1KDM4ELMNA
SCHEMBL7365474 0.73 MMP3 (0.42) MMP3MMP1
SCHEMBL7332433 0.72 MMP3 (0.55) MMP3MMP1
SCHEMBL7395690 0.71 MMP3 (0.47) MMP3MMP1
SCHEMBL8902722 0.70 MMP3 (0.46) MMP3MMP1

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
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 — — US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed