SCHEMBL7288778

SCHEMBL7288778

CC(C)[C@H](N)C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1[C@H](C(=O)c1nc2cc(CO[Si](C)(C)C(C)(C)C)ccc2o1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
PRSS8 Q16651 1/20 0.31

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
SCHEMBL7276163 0.91 ELANE (0.39) ELANENPC1RAB9ACTSLCTSB
SCHEMBL7287872 0.87 NPC1 (0.33) NPC1RAB9A
SCHEMBL9744946 0.87 ELANE (0.47) ELANENPC1RAB9A
SCHEMBL7289208 0.83 ELANE (0.47) ELANENPC1RAB9A
SCHEMBL7286288 0.78 FAAH (0.39) ELANE
SCHEMBL9744899 0.78 NPC1 (0.35) ELANENPC1RAB9A
SCHEMBL7004719 0.76 NPC1 (0.37) ELANENPC1RAB9A
SCHEMBL7279122 0.76 F2 (0.37) NPC1RAB9A
SCHEMBL6449506 0.75 PREP (0.35) ELANE
SCHEMBL7285860 0.75 NPC1 (0.39) ELANENPC1RAB9A

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-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed