SCHEMBL10441493

SCHEMBL10441493

O=C1CC(C(=O)O)N(O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL1445011 0.77 ACE (0.51) —
SCHEMBL27867427 0.76 UCHL1 (0.41) —
SCHEMBL27867459 0.69 AADAT (0.51) NOTUMRAB9AGAA
SCHEMBL27867457 0.69 UCHL1 (0.37) CYP3A4
SCHEMBL27883825 0.69 AADAT (0.51) NOTUMALDH1A1MAPTKDM4EMEN1
SCHEMBL27883834 0.69 AADAT (0.51) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL27867409 0.68 AGTR2 (0.52) —
SCHEMBL27867498 0.67 AGTR2 (0.51) —
SCHEMBL5397337 0.66 LMNA (0.51) NOTUMALDH1A1POLBMEN1KMT2A
SCHEMBL221250 0.66 NOTUM (0.64) NOTUMALDH1A1HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 — — EP disclosed
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