Sugi Predict

Sugi Predict / Compounds / SCHEMBL7311510

SCHEMBL7311510

SCHEMBL7311510

CC(C)[C@H](NC(=O)c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)C(N)(C(=O)C(F)(F)F)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 12/20 0.55
▸ ELANE P08246 8/20 0.51
▸ CTSG P08311 1/20 0.51

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
SCHEMBL9144433 0.88 ELANE (0.49) CMA1ELANECTSG
SCHEMBL7300501 0.85 ELANE (0.68) CMA1ELANECTSG
SCHEMBL9315041 0.81 ELANE (0.57) CMA1ELANECTSG
SCHEMBL7305601 0.79 ELANE (0.70) CMA1ELANECTSG
SCHEMBL7302442 0.75 ELANE (0.70) CMA1ELANECTSG
SCHEMBL7443048 0.75 ELANE (0.68) CMA1ELANECTSG
SCHEMBL7297349 0.75 FKBP1A (0.54) ELANECTSG
SCHEMBL3935563 0.72 ELANE (0.67) CMA1ELANECTSG
SCHEMBL20943188 0.72 ELANE (0.67) CMA1ELANECTSG
SCHEMBL20943154 0.72 ELANE (0.67) CMA1ELANECTSG

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-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 — — EP disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 — — EP disclosed