SCHEMBL7358822

SCHEMBL7358822

Cc1cc2ccc1c(=O)n(CCC(=O)OC(C)(C)C)c2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL7357812 0.85 MAPT (0.38) GAAPOLBNPSR1MAPTKDM4E
SCHEMBL24147672 0.74 ALDH1A1 (0.38) GAAPOLBMAPTKDM4EALDH1A1
SCHEMBL27431550 0.67 PSEN1 (0.38) POLBKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL17830787 0.66 DAO (0.48) POLBNPSR1KDM4EALDH1A1HSD17B10
SCHEMBL7957934 0.65 F10 (0.53) GAANPSR1MAPTKDM4EALDH1A1
SCHEMBL14984829 0.64 ALDH1A1 (0.44) NPSR1MAPTALDH1A1HPGD
SCHEMBL31520609 0.64 KDM4E (0.43) GAAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL20436342 0.63 HTR2A (0.45) MAPTTNF
SCHEMBL11327841 0.63 HPGD (0.58) GAAPOLBMAPTALDH1A1HSD17B10
SCHEMBL7358239 0.63 HPGD (0.51) GAANPSR1MAPTKDM4EALDH1A1

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
US-6037343-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 — — US disclosed
WO-1996019223-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 — — WO disclosed
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