SCHEMBL7560207

SCHEMBL7560207

O=C(OC1OC(CO)C(O)C(O)C1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ LGALS3 P17931 3/20 0.50
▸ NT5E P21589 1/20 0.50
▸ LGALS4 P56470 2/20 0.48
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 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
SCHEMBL27510704 0.88 TYR (0.51) LGALS3
SCHEMBL29161024 0.83 TYR (0.61) —
SCHEMBL467820 0.83 TYR (0.61) —
SCHEMBL15711517 0.83 TYR (0.61) —
SCHEMBL29220897 0.82 LGALS3 (0.61) LGALS3NT5ELGALS4PTPN2PTPN1
SCHEMBL2455542 0.82 PTPN2 (0.49) ALDH1A1NT5EPTPN2PTPN1
SCHEMBL2454672 0.82 PTPN2 (0.49) ALDH1A1NT5EPTPN2PTPN1
SCHEMBL7544589 0.82 CYP1A2 (0.48) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL7938131 0.82 MAOB (0.46) LGALS3
SCHEMBL9236676 0.82 LGALS3 (0.62) LGALS3LGALS4

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-1169327-A1 L-ARABINO-DISACCHARIDES OF ANTHRACYCLINES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2002-01-09 — — EP disclosed
WO-2000053615-A1 L-ARABINO-DISACCHARIDES OF ANTHRACYCLINES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2000-09-14 — — WO disclosed
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