SCHEMBL7886231

SCHEMBL7886231

CCOC(=O)c1nn(-c2cccc(C(=O)O)c2)c(=O)c2c(N)scc12

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 0.80
▸ MAPT P10636 11/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ ALDH1A1 P00352 4/20 0.80
▸ ALOX12 P18054 3/20 0.80
▸ CASP1 P29466 2/20 0.80
▸ ALOX15 P16050 2/20 0.80
▸ HSD17B10 Q99714 2/20 0.80
▸ APP P05067 6/20 0.74
▸ APAF1 O14727 1/20 0.73
▸ CACNA1B Q00975 1/20 0.73
▸ APBA1 Q02410 1/20 0.73
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ MAPK1 P28482 1/20 0.67
▸ CASP6 P55212 1/20 0.67

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
SCHEMBL14660048 0.94 ADORA1 (0.82) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL8165810 0.90 MAPT (0.71) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL14659429 0.89 ADORA1 (0.84) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7885074 0.89 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL8166334 0.88 MAPT (0.94) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7877338 0.88 MAPT (0.88) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7886436 0.88 ADORA1 (0.81) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL7886346 0.88 ADORA1 (0.81) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL14659677 0.88 ADORA1 (0.81) ADORA1MAPTKDM4EALDH1A1ALOX12
SCHEMBL8172553 0.87 ADORA1 (0.79) ADORA1MAPTKDM4EALDH1A1ALOX12

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
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US claimed
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US disclosed
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO disclosed
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