SCHEMBL8920472

SCHEMBL8920472

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.53
ELANE P08246 3/20 0.51
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
XIAP P98170 1/20 0.45

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
SCHEMBL8921575 1.00 CMA1 (0.53) CMA1ELANETSHRPOLBKMT2A
SCHEMBL23969584 0.89 CMA1 (0.59) CMA1ELANETSHR
SCHEMBL7860727 0.89 ELANE (0.55) CMA1ELANE
SCHEMBL8611726 0.88 XIAP (0.47) CMA1ELANEPOLBXIAP
SCHEMBL8922544 0.88 XIAP (0.47) CMA1ELANEPOLBXIAP
SCHEMBL10297427 0.88 CMA1 (0.49) CMA1ELANEXIAP
SCHEMBL10297464 0.88 CMA1 (0.49) CMA1ELANEXIAP
SCHEMBL6374299 0.86 CMA1 (0.49) CMA1ELANE
SCHEMBL8922480 0.86 PREP (0.49) CMA1ELANEXIAP
SCHEMBL8961236 0.86 PREP (0.49) CMA1ELANEXIAP

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