SCHEMBL8977644

SCHEMBL8977644

CCOC(=O)c1cc2c(CC(=O)O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 3/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
HSD17B10 Q99714 2/20 0.49
HCRTR1 O43613 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL22620711 0.89 KDM4E (0.56) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL28667622 0.87 KDM4E (0.49) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL22620710 0.86 KDM4E (0.53) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL22953013 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL27782466 0.82 KDM4E (0.49) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL701020 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7680542 0.82 SRD5A2 (0.49) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL28687264 0.81 HRH3 (0.54) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL913891 0.81 KDM4E (0.56) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4044123 0.80 CDK1 (0.57) KDM4EALDH1A1MAPTRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed