SCHEMBL6282557

SCHEMBL6282557

COC(Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.59
CTRC Q99895 3/20 0.59
CASP1 P29466 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7440440 0.93 ELANE (0.55) ELANECTRC
SCHEMBL7289416 0.91 ELANE (0.64) ELANECTRC
SCHEMBL7277028 0.86 ELANE (0.46) ELANECTRCCASP1NPC1RAB9A
SCHEMBL7274678 0.86 HDAC3 (0.49) ELANECTRCCASP1NPC1RAB9A
SCHEMBL7276488 0.83 ELANE (0.64) ELANECTRCCASP1NPC1RAB9A
SCHEMBL6086170 0.82 ELANE (0.62) ELANECTRCNPC1RAB9A
SCHEMBL7283751 0.81 ELANE (0.57) ELANECTRCCASP1NPC1RAB9A
SCHEMBL7301356 0.78 ELANE (0.64) ELANE
SCHEMBL8536676 0.77 ELANE (0.59) ELANECTRC
SCHEMBL7284339 0.75 ELANE (0.80) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906068-B1 Substituted polycyclic aryl and heteroaryl 1,2,4 - triazinones useful as anticoagulants PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed
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-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
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed