SCHEMBL3459826

SCHEMBL3459826

CCN(CC)c1cccc(NC(=O)CCC(=O)OCC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ GAA P10253 3/20 0.51
▸ ALDH1A1 P00352 8/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ AGTR1 P30556 2/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL3480132 0.85 MEN1 (0.44) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL11418316 0.81 SMN1; SMN2 (0.52) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL9408549 0.81 ALDH1A1 (0.57) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL11411088 0.78 ALDH1A1 (0.51) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL8742796 0.78 SMN1; SMN2 (0.60) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL30400187 0.78 RAB9A (0.61) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL9408526 0.78 RAB9A (0.61) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL3459670 0.77 EPHX2 (0.47) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL11421963 0.77 KMT2A (0.66) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL11420893 0.76 ALDH1A1 (0.52) MAPTGAAALDH1A1KMT2AMEN1

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-7833291-B2 Dispersion dye, the production and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-11-16 — — US disclosed
US-20100076182-A1 DISPERSION DYE, THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2010-03-25 — — US disclosed
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