SCHEMBL8938530

SCHEMBL8938530

O=[N+]([O-])c1cc(CCCl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GPR35 Q9HC97 1/20 0.53
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
DBH P09172 1/20 0.48

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
SCHEMBL11002820 0.89 MAPK1 (0.60) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL532173 0.86 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL29987829 0.84 POLB (0.63) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL11007381 0.84 POLB (0.55) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL6812707 0.84 POLB (0.63) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL11001841 0.84 POLB (0.55) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL1467557 0.83 MAPK1 (0.61) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL1025224 0.83 CNR1 (0.55) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL11774683 0.83 POLB (0.54) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL30477507 0.82 SNCA (0.62) POLBMAPK1ALDH1A1TP53HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed