SCHEMBL8428583

SCHEMBL8428583

CC(C)C(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1Cc2ccccc2CC1C(=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
CMA1 P23946 9/20 0.37
HDAC8 Q9BY41 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL8430198 0.97 ELANE (0.38) ELANECMA1HDAC8MEN1KMT2A
SCHEMBL8430132 0.81 ELANE (0.53) ELANE
SCHEMBL7329397 0.80 ELANE (0.39) ELANECMA1MEN1KMT2A
SCHEMBL8510794 0.78 ELANE (0.41) ELANECMA1MEN1KMT2A
SCHEMBL7339091 0.78 ELANE (0.55) ELANE
SCHEMBL7330747 0.78 ELANE (0.39) ELANECMA1MEN1KMT2A
SCHEMBL7966452 0.75 ELANE (0.41) ELANECMA1MEN1KMT2A
SCHEMBL7962916 0.74 ELANE (0.49) ELANE
SCHEMBL7364606 0.74 ALDH1A1 (0.37) ELANECMA1
SCHEMBL8428427 0.73 CTSK (0.36) ELANEMEN1KMT2A

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-6008196-A AN ENZYME INHIBITORS OF HUMAN NEUTROPHIL ELASTASE HOECHST MARION ROUSSEL, INC. (US) 1999-12-28 US disclosed
EP-0763055-B1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMA INC (US) 1999-11-03 EP disclosed