SCHEMBL8961439

SCHEMBL8961439

CC(C)[C@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.69
PREP P48147 2/20 0.60
REN P00797 1/20 0.54
CMA1 P23946 5/20 0.52
CTRB1 P17538 1/20 0.49
MALT1 Q9UDY8 1/20 0.47
CAPN1 P07384 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CYP1A2 P05177 1/20 0.47
CCR1 P32246 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL8920319 1.00 ELANE (0.69) ELANEPREPRENCMA1CTRB1
SCHEMBL8611274 1.00 ELANE (0.69) ELANEPREPRENCMA1CTRB1
SCHEMBL10081594 0.91 ELANE (0.64) ELANEPREPCMA1
SCHEMBL8611215 0.88 PREP (0.67) ELANEPREPRENCYP1A2ACE
SCHEMBL8611219 0.88 PREP (0.67) ELANEPREPRENCYP1A2ACE
SCHEMBL11517511 0.88 PREP (0.70) ELANEPREPRENCMA1CTRB1
SCHEMBL7392861 0.87 PREP (0.59) ELANEPREPRENCMA1CTRB1
SCHEMBL8922399 0.85 ELANE (0.51) ELANEPREPCMA1
SCHEMBL8921637 0.85 ELANE (0.51) ELANEPREPCMA1
SCHEMBL7392499 0.85 PREP (0.57) ELANEPREPRENCMA1CTRB1

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-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