Sugi Predict

Sugi Predict / Compounds / SCHEMBL7443048

SCHEMBL7443048

SCHEMBL7443048

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1)C(C)C)C(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 12/20 0.68
▸ CTSG P08311 1/20 0.65
▸ CMA1 P23946 8/20 0.56

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
SCHEMBL7300501 0.89 ELANE (0.68) ELANECTSGCMA1
SCHEMBL7432753 0.83 ELANE (0.68) ELANECTSGCMA1
SCHEMBL10081595 0.83 ELANE (0.65) ELANECTSGCMA1
SCHEMBL7305601 0.82 ELANE (0.70) ELANECTSGCMA1
SCHEMBL22686733 0.81 ELANE (0.71) ELANECTSGCMA1
SCHEMBL20943145 0.81 ELANE (0.71) ELANECTSGCMA1
SCHEMBL20943181 0.81 ELANE (0.70) ELANECTSGCMA1
SCHEMBL7310675 0.80 ELANE (0.80) ELANECTSGCMA1
SCHEMBL9193637 0.80 CMA1 (0.54) ELANECTSGCMA1
SCHEMBL8250889 0.80 ELANE (0.71) ELANECTSGCMA1

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-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 — — US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 — — EP disclosed