SCHEMBL5314945

SCHEMBL5314945

NC(CO)CCc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
ALOX5 P09917 1/20 0.57
BACE1 P56817 1/20 0.57
ALOX15 P16050 6/20 0.55
MAPK1 P28482 4/20 0.55
HIF1A Q16665 4/20 0.55
HSD17B10 Q99714 4/20 0.55
RECQL P46063 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ADRA2A P08913 3/20 0.55
DRD2 P14416 3/20 0.55
DRD1 P21728 3/20 0.55
DRD4 P21917 3/20 0.55
SLC6A2 P23975 3/20 0.55
DRD3 P35462 3/20 0.55
SLC6A3 Q01959 3/20 0.55
THPO P40225 3/20 0.55

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
SCHEMBL1960568 0.81 PLA2G1B (0.59) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL15220214 0.81 PLA2G1B (0.59) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL4968038 0.81 PLA2G1B (0.59) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL8713328 0.79 ALOX15 (0.57) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL11422131 0.79 KDM4E (0.57) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL6339564 0.79 ALOX15 (0.57) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL8779967 0.76 PNMT (0.53) MAPTALDH1A1ALOX15TP53TAAR1
SCHEMBL8779961 0.76 PNMT (0.53) MAPTALDH1A1ALOX15TP53TAAR1
SCHEMBL22082812 0.76 ALOX15 (0.61) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL5287328 0.75 KDM4E (0.70) KDM4EMAPTALDH1A1GAAALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018000098-A1 TREATMENT OF INFLAMMATORY MYOPATHIES CIPHER PHARMACEUTICALS INC. (CA) 2018-01-04 WO disclosed
WO-2006108424-A9 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEV AS (DK) 2007-08-09 WO disclosed
WO-2006108424-A2 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2006-10-19 WO disclosed