SCHEMBL1551373

SCHEMBL1551373

O=C(OCCCl)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)N1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PRSS1 P07477 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL1551375 1.00 BCHE (0.40) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL637595 0.82 MAPT (0.59) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL637594 0.82 MAPT (0.59) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL1483452 0.81 BCHE (0.42) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL1483457 0.81 BCHE (0.42) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL1483446 0.81 BCHE (0.42) BCHEMAPTALDH1A1PRSS1TPSG1
SCHEMBL637892 0.76 CYP1A2 (0.46) BCHE
SCHEMBL637891 0.76 CYP1A2 (0.46) BCHE
SCHEMBL638113 0.76 CYP1A2 (0.46) BCHE
SCHEMBL31538812 0.73 BCHE (0.61) BCHEMAPTALDH1A1

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
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 EP disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 WO disclosed