Sugi Predict

Sugi Predict / Compounds / SCHEMBL8923645

SCHEMBL8923645

SCHEMBL8923645

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 11/20 0.47
▸ ELANE P08246 9/20 0.44
▸ CTSG P08311 1/20 0.41

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
SCHEMBL8921637 0.92 ELANE (0.51) CMA1ELANE
SCHEMBL8922399 0.92 ELANE (0.51) CMA1ELANE
SCHEMBL8923650 0.88 CMA1 (0.44) CMA1ELANECTSG
SCHEMBL31500752 0.83 CMA1 (0.45) CMA1ELANE
SCHEMBL25404023 0.82 CTRB1 (0.48) ELANE
SCHEMBL29211787 0.82 CTRB1 (0.48) ELANE
SCHEMBL25404019 0.82 CTRB1 (0.48) ELANE
SCHEMBL8611807 0.81 ACE (0.49) ELANE
SCHEMBL8611810 0.81 ACE (0.49) ELANE
SCHEMBL29696690 0.81 ACE (0.49) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 — — US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 — — EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 — — WO disclosed