SCHEMBL9183908

SCHEMBL9183908

O=C1c2ccccc2C(O)N1CCCCCO[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS2 P35354 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE6D O43924 3/20 0.39

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
SCHEMBL9185538 0.95 L3MBTL1 (0.50) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9184179 0.90 L3MBTL1 (0.52) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9187705 0.83 ALDH1A1 (0.52) HPGDALDH1A1PTGS2TSHR
SCHEMBL16392966 0.79 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL7632891 0.78 L3MBTL1 (0.56) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9188610 0.78 L3MBTL1 (0.56) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL20216016 0.77 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL21985460 0.76 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL19976649 0.76 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL23585046 0.76 L3MBTL1 (0.59) L3MBTL1HPGDLMNAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576475-B1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-09-20 — — EP disclosed
US-5376673-A Vasodilation ITALFARMACO S.P.A. (IT) 1994-12-27 — — US disclosed
EP-0576475-A1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY. ITALFARMACO SPA (IT) 1994-01-05 — — EP disclosed
WO-1992016506-A1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-10-01 — — WO disclosed
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