SCHEMBL27606751

SCHEMBL27606751

[CH2]c1ccc(C(=O)O)cc1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEU3 Q9UQ49 1/20 0.53
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40

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
SCHEMBL3891611 0.83 NPC1 (0.64) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL31236129 0.80 KDM4E (0.60) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL9336136 0.80 NEU3 (0.54) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL560143 0.80 L3MBTL1 (0.57) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL81134 0.80 KDM4E (0.60) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL1304624 0.80 NEU3 (0.54) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL1459456 0.79 ALDH1A1 (0.71) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL15942895 0.79 HDAC1 (0.61) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL4911830 0.79 NEU3 (0.53) NEU3KMT2AMEN1ALDH1A1MAPT
SCHEMBL16234575 0.79 MEN1 (0.54) NEU3KMT2AMEN1ALDH1A1MAPT

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
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 — — CN disclosed
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