SCHEMBL7274411

SCHEMBL7274411

CC(C)(C)OC(=O)Cn1cc(I)cc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.49
CTRC Q99895 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.41
SYK P43405 1/20 0.40
CASP1 P29466 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL7276615 0.88 NPC1 (0.49) ELANECTRCNPC1RAB9AMAOB
SCHEMBL7276630 0.86 ELANE (0.50) ELANECTRCNPC1RAB9AMAOB
SCHEMBL7229401 0.83 ELANE (0.60) ELANECTRCNPC1RAB9AMAOB
SCHEMBL7276489 0.80 ELANE (0.69) ELANECTRCNPC1RAB9A
SCHEMBL4214512 0.78 NPC1 (0.44) ELANECTRCNPC1RAB9AMAOB
SCHEMBL4424252 0.78 ELANE (0.61) ELANECTRCNPC1RAB9ACASP1
SCHEMBL6556136 0.76 ELANE (0.62) ELANECTRCNPC1RAB9A
SCHEMBL21685581 0.76 ELANE (0.49) ELANECTRCNPC1RAB9ACASP1
SCHEMBL9011620 0.76 ELANE (0.49) ELANECTRC
SCHEMBL7275624 0.76 ELANE (0.51) ELANECTRC

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-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed