SCHEMBL9551349

SCHEMBL9551349

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)ONC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.48
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ REN P00797 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ SCN9A Q15858 3/20 0.44
▸ CCKAR P32238 2/20 0.44
▸ CCKBR P32239 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL27335662 0.91 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL7351751 0.91 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL9876266 0.91 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL9551282 0.91 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL9551333 0.85 ALDH1A1 (0.44) CTSSCTSKCTSLCTSBMAPT
SCHEMBL9551279 0.84 HSP90AA1 (0.45) MAPTALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10420805 0.84 CTSS (0.54) CTSSCTSKCTSLCTSBREN
SCHEMBL9551311 0.84 REN (0.64) CTSSCTSKCTSLCTSBREN
SCHEMBL23598225 0.84 ACE (0.57) CTSSCTSKCTSLCTSBREN
Bromide SCHEMBL9551342 0.84 ALDH1A1 (0.47) POLBALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202312-A Antiarthritic agents, antiallergens, antidiabetic agents TANABE SEIYAKU CO., LTD. (JP) 1993-04-13 — — US disclosed
EP-0372818-A2 Imidazole-containing peptide and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-06-13 — — EP disclosed
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