SCHEMBL7983751

SCHEMBL7983751

CCCS(=O)(=O)[N]C(=O)c1cccc(OC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 3/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL7984823 0.91 KAT6A (0.48) KAT6AKMT2AMEN1HTTGAA
SCHEMBL7973364 0.86 ALDH1A1 (0.53) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL7987781 0.85 KAT6A (0.48) KAT6AKMT2AMEN1HTTKDM4E
SCHEMBL7987818 0.85 KMT2A (0.49) KMT2AHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7987850 0.83 KMT2A (0.51) KAT6AKMT2AMEN1HTTGAA
SCHEMBL7989108 0.79 L3MBTL1 (0.48) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL7983792 0.78 CES2 (0.46) KAT6AKMT2AMEN1HTTGAA
SCHEMBL7991787 0.78 ALDH1A1 (0.45) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL7973495 0.77 NPSR1 (0.46) GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL7986969 0.76 CES2 (0.56) KAT6AKMT2AMEN1KDM4EALDH1A1

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed