SCHEMBL16396156

SCHEMBL16396156

O=[N+]([O-])c1cccc(C(CO)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.59
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 3/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
KMO O15229 1/20 0.48
NFE2L2 Q16236 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
SCHEMBL7398461 0.90 TP53 (0.50) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL15617595 0.84 CNR1 (0.56) L3MBTL1SMN1; SMN2LMNATSHRMEN1
SCHEMBL16951631 0.81 TSHR (0.53) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL31376571 0.81 L3MBTL1 (0.62) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL2234292 0.81 L3MBTL1 (0.62) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL9154689 0.81 L3MBTL1 (0.62) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL2878386 0.80 L3MBTL1 (0.61) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL21200551 0.80 L3MBTL1 (0.61) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL31226322 0.80 GRM8 (0.53) ACP3TP53L3MBTL1HTTSMN1; SMN2
SCHEMBL666103 0.80 GRM8 (0.53) ACP3TP53L3MBTL1HTTSMN1; SMN2

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
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO disclosed