SCHEMBL12855992

SCHEMBL12855992

Cc1ccc(O)c(C(=O)NCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.54
NME4 O00746 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
ADORA2A P29274 1/20 0.51
AVPR2 P30518 1/20 0.51
AGTR1 P30556 1/20 0.51
SLC6A4 P31645 1/20 0.51
AVPR1A P37288 1/20 0.51
HTR3A P46098 1/20 0.51
GCDH Q92947 1/20 0.51
SLC29A1 Q99808 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
GAA P10253 1/20 0.49
NAAA Q02083 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL31661686 0.88 NAAA (0.57) CSNK2A1GAANAAASMN1; SMN2CDK1
SCHEMBL2164508 0.88 NAAA (0.57) CSNK2A1GAANAAASMN1; SMN2CDK1
SCHEMBL20355604 0.84 EGLN1 (0.64) CSNK2A1GAAMEN1KMT2AEGLN1
SCHEMBL8980647 0.84 KDM4E (0.58) CSNK2A1NAAAMEN1KMT2AGRM5
SCHEMBL18645554 0.84 NAAA (0.57) CSNK2A1TDP1NAAAMEN1KMT2A
SCHEMBL279847 0.83 NPC1 (0.51) TDP1MEN1KMT2ANPC1RAB9A
SCHEMBL24454271 0.83 CSNK2A1 (0.51) CSNK2A1NAAAMEN1KMT2AGRM5
SCHEMBL1114775 0.81 CDK1 (0.68) NME4ADORA3CHRM1ADORA2AAVPR2
SCHEMBL18646519 0.81 NAAA (0.67) CSNK2A1NAAAHTTSMN1; SMN2CDK1
SCHEMBL13753913 0.80 CSNK2A1 (0.56) CSNK2A1GAANAAAMEN1KMT2A

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-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed