SCHEMBL7277028

SCHEMBL7277028

COC(Cn1c(-c2ccco2)ccc(NC(=O)OCc2ccccc2)c1=O)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.46
CTRC Q99895 5/20 0.46
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL6282557 0.86 ELANE (0.59) ELANECTRCNPC1RAB9ACASP1
SCHEMBL7283124 0.85 ELANE (0.49) ELANECTRCPOLBNPC1RAB9A
SCHEMBL7274908 0.83 POLB (0.44) ELANECTRCPOLBKDM4EALDH1A1
SCHEMBL7440440 0.82 ELANE (0.55) ELANECTRC
SCHEMBL7274678 0.81 HDAC3 (0.49) ELANECTRCNPC1RAB9ACASP1
SCHEMBL7289416 0.80 ELANE (0.64) ELANECTRC
SCHEMBL7286359 0.77 ELANE (0.60) ELANECTRC
SCHEMBL7283841 0.74 ELANE (0.49) ELANECTRC
SCHEMBL6086170 0.74 ELANE (0.62) ELANECTRCNPC1RAB9A
SCHEMBL7283834 0.72 ELANE (0.54) 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 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