SCHEMBL5146867

SCHEMBL5146867

CCOC(=O)c1cccnc1OCC(C)(C=O)Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2916136 0.80 TSHR (0.58) L3MBTL1MAPK1ALDH1A1HPGDGAA
SCHEMBL1313733 0.73 L3MBTL1 (0.74) L3MBTL1MAPK1ALDH1A1HPGDNPC1
SCHEMBL29173176 0.72 L3MBTL1 (0.60) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL6472886 0.71 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL7239484 0.71 L3MBTL1 (0.62) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL6043936 0.70 L3MBTL1 (0.58) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL311599 0.69 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL3454297 0.69 CYP1A2 (0.62) L3MBTL1MAPK1ALDH1A1HPGDGAA
SCHEMBL27424667 0.69 L3MBTL1 (0.56) L3MBTL1MAPK1ALDH1A1NPC1TSHR
SCHEMBL8560540 0.69 GAA (0.62) L3MBTL1MAPK1ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 — — EP claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 — — EP claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 — — WO claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 — — WO claimed
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 — — EP disclosed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 — — EP disclosed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 — — WO disclosed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 — — WO disclosed
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