SCHEMBL28948425

SCHEMBL28948425

C=CCOC(=O)C1CCCN1C(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.49
▸ CMA1 P23946 4/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.47
▸ FKBP1A P62942 5/20 0.47
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ SYK P43405 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PREP P48147 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL12105494 0.93 FKBP1A (0.55) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL19217464 0.90 KLK5 (0.58) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL1300209 0.88 ACE (0.61) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL1300212 0.88 ACE (0.61) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL12494238 0.84 FKBP1A (0.53) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL12494239 0.84 FKBP1A (0.53) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL12494481 0.84 FKBP1A (0.53) ACECMA1ITGB3ITGA2BKLK5
SCHEMBL7148899 0.83 ACE (0.63) ACECMA1KLK5FKBP1AF2
SCHEMBL7537159 0.83 ACE (0.63) ACECMA1KLK5FKBP1AF2
SCHEMBL10403794 0.83 ACE (0.56) ACECMA1KLK5FKBP1AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677831-A Peptidomimetic STAT degradation drug, composition and application 杭州和正医药有限公司 2023-02-03 — — CN disclosed
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