SCHEMBL4176108

SCHEMBL4176108

O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2cc1-c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ HPGD P15428 7/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ CASP1 P29466 5/20 0.51
▸ CASP7 P55210 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ GLA P06280 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CA12 O43570 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4176101 1.00 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL2228885 0.80 MAOB (0.57) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL2226399 0.80 MAOB (0.57) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL2422537 0.79 HSD17B10 (0.64) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL15270354 0.79 CA12 (0.56) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL15283110 0.79 CA12 (0.56) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL307509 0.79 CA12 (0.56) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL4125603 0.79 CA12 (0.56) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL12886502 0.79 CA12 (0.56) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL2778091 0.78 CA12 (0.67) ALDH1A1HPGDKDM4ECASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170144-A1 DETERMINATION OF VIABLE MICROORGANISMS USING COATED PARAMAGNETIC BEADS UNIVERSITY OF CINCINNATI 2009-07-02 — — US disclosed
EP-1853387-A2 DETERMINATION OF VIABLE MICROORGANISMS USING COATED PARAMAGNETIC BEADS UNIVERSITY OF CINCINNATI (US) 2007-11-14 — — EP disclosed
WO-2006091630-A2 DETERMINATION OF VIABLE MICROORGANISMS USING COATED PARAMAGNETIC BEADS UNIVERSITY OF CINCINNATI (US) 2006-08-31 — — WO disclosed
EP-0791070-B1 ENZYMATIC METHOD FOR DETECTING COLIFORM BACTERIA OR E. COLI STUDIE EN SAMENWERKINGVERBAND (BE) 2000-12-27 — — EP disclosed
US-5861270-A Enzymatic method for detecting coliform bacteria or E. coli UNIVERSITEIT GENT (BE) 1999-01-19 — — US disclosed
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