SCHEMBL7445689

SCHEMBL7445689

O=CCn1c(-c2ccccc2Cl)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.60
CTRC Q99895 5/20 0.46
CASP3 P42574 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.41
SENP1 Q9P0U3 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL8531683 0.91 ELANE (0.59) ELANECTRCCASP3NPC1RAB9A
SCHEMBL8536815 0.88 ELANE (0.67) ELANECTRCCASP3NPC1RAB9A
SCHEMBL7283751 0.86 ELANE (0.57) ELANECTRCNPC1RAB9APTPN1
SCHEMBL2279465 0.84 ELANE (0.58) ELANECTRCCASP3NPC1RAB9A
SCHEMBL7402310 0.83 ELANE (0.60) ELANECTRCCASP3NPC1RAB9A
SCHEMBL1329615 0.82 ELANE (0.65) ELANECTRC
SCHEMBL7446091 0.82 ELANE (0.53) ELANECTRCNPC1RAB9A
SCHEMBL7274908 0.81 POLB (0.44) ELANECTRCNPC1RAB9A
SCHEMBL7284545 0.81 HDAC3 (0.52) ELANECTRCNPC1RAB9A
SCHEMBL7276667 0.79 ELANE (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721222-A Heterocyclic ketones ZENECA LIMITED (GB) 1998-02-24 US disclosed
US-5486529-A Certain pyridyl ketones for treating diseases involving leukocyte elastase ZENECA LIMITED (GB) 1996-01-23 US disclosed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO disclosed