SCHEMBL7283124

SCHEMBL7283124

O=C(O)Cn1c(-c2ccco2)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.49
CTRC Q99895 4/20 0.49
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP1 P29466 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7274908 0.88 POLB (0.44) ELANECTRCPOLBTSHRRECQL
SCHEMBL7277028 0.85 ELANE (0.46) ELANECTRCPOLBTSHRRECQL
SCHEMBL7276488 0.85 ELANE (0.64) ELANECTRCCASP1NPC1RAB9A
SCHEMBL7286359 0.81 ELANE (0.60) ELANECTRC
SCHEMBL8536815 0.80 ELANE (0.67) ELANECTRCCASP1NPC1RAB9A
SCHEMBL8536676 0.80 ELANE (0.59) ELANECTRCHSD17B10
SCHEMBL7276853 0.79 HDAC3 (0.53) ELANECTRCCASP1
SCHEMBL21685578 0.79 NPC1 (0.50) ELANECTRCPOLBCASP1NPC1
SCHEMBL2798490 0.79 ELANE (0.64) ELANECTRCCASP1NPC1RAB9A
SCHEMBL2802859 0.78 ELANE (0.64) ELANECTRCCASP1NPC1RAB9A

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
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
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