Sugi Predict

Sugi Predict / Compounds / SCHEMBL7790063

SCHEMBL7790063

SCHEMBL7790063

CC#CC[C@@H]1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.41
▸ HPGD P15428 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ KLK7 P49862 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ CASP1 P29466 4/20 0.37

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
SCHEMBL7790201 0.91 FKBP1A (0.40) FKBP1AHPGDCTSLKLK7F2
SCHEMBL7790190 0.90 KLK7 (0.40) FKBP1AHPGDCTSLKLK7F2
SCHEMBL22446555 0.87 KLK7 (0.45) FKBP1ACTSLKLK7F2
SCHEMBL31486301 0.87 FKBP1A (0.44) FKBP1AHPGDCTSLKLK7F2
SCHEMBL12643706 0.87 KLK7 (0.45) FKBP1ACTSLKLK7F2
SCHEMBL30387086 0.87 KLK7 (0.45) FKBP1ACTSLKLK7F2
SCHEMBL31486524 0.87 KLK7 (0.45) FKBP1ACTSLKLK7F2
SCHEMBL23121510 0.85 FKBP1A (0.42) FKBP1ACTSLKLK7F2
SCHEMBL31486416 0.82 FKBP1A (0.45) FKBP1AHPGDCTSLKLK7F2
SCHEMBL31486292 0.82 FKBP1A (0.45) FKBP1AHPGDCTSLKLK7F2

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
EP-0826663-B1 Alkynylamino acid derivatives and their use as pharmaceutical compounds LILLY CO ELI (GB) 2001-10-31 — — EP disclosed
EP-0826663-A2 Alkynylamino acid derivatives and their use as pharmaceutical compounds ELI LILLY AND COMPANY LIMITED (GB) 1998-03-04 — — EP disclosed