SCHEMBL7300801

SCHEMBL7300801

O=C(NOP(=O)(Cl)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
TP53 P04637 1/20 0.52
KLK1 P06870 4/20 0.51
PLAU P00749 7/20 0.51
F2 P00734 6/20 0.51
PLAT P00750 6/20 0.51
PRTN3 P24158 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PLG P00747 6/20 0.48
KLK8 O60259 5/20 0.48
KLK4 Q9Y5K2 5/20 0.48
F10 P00742 4/20 0.48
KLK2 P20151 3/20 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
SCHEMBL7300806 0.84 ELANE (0.51) ELANETP53KLK1PLAUF2
SCHEMBL9155282 0.78 CA12 (0.56) ELANEKLK1CA12CA1CA2
SCHEMBL28537302 0.77 CA12 (0.55) ELANETP53PLAUF2PLAT
SCHEMBL9155285 0.77 CA12 (0.55) ELANECA12CA1CA2CA9
SCHEMBL13485419 0.76 ELANE (0.57) ELANETP53KLK1PLAUF2
SCHEMBL9462241 0.76 CA12 (0.61) ELANETP53CA12CA1CA2
SCHEMBL13537615 0.74 ELANE (0.55) ELANETP53KLK1PLAUF2
SCHEMBL8519322 0.74 TSHR (0.53) ELANE
SCHEMBL119805 0.73 CA12 (0.67) CA12CA1CA2CA9
SCHEMBL13875657 0.72 ALDH1A1 (0.47) ELANETP53KLK1PLAUF2

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-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed