SCHEMBL9123872

SCHEMBL9123872

C=C(C)COc1cccc(N2C(=O)C=C(O)C2=CCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GRM5 P41594 1/20 0.34
▸ GPR174 Q9BXC1 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ DUSP22 Q9NRW4 1/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TP53 P04637 2/20 0.33

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
SCHEMBL9123046 0.82 MGLL (0.40) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL9550629 0.77 MGLL (0.58) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL9622079 0.68 LMNA (0.52) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL17534193 0.66 CHRNB2 (0.53) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL3315840 0.64 KMT2A (0.62) KMT2A
SCHEMBL8012997 0.64 MAOA (0.54) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL30361079 0.64 KMT2A (0.62) KMT2A
SCHEMBL1486040 0.64 GPR174 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1092175 0.63 MAOB (0.60) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2552245 0.63 ENPP2 (0.56) MEN1KMT2AMAPTL3MBTL1POLB

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
US-5420155-A Treatment of nervous system disorders with derivatives of 4-hydroxy-2-(1H)-pyrrolones such as strokes, antiischemic agents or cardiovascular disorders MERCK SHARP & DOHME LTD. (GB) 1995-05-30 — — US disclosed
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