SCHEMBL16224971

SCHEMBL16224971

CCCCC(=O)c1scc(C(=O)OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL18415992 0.91 GSK3B (0.49) GSK3BALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16213242 0.87 GSK3B (0.53) GSK3BALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL16225003 0.85 EED (0.39) GSK3BALDH1A1MAPTHPGDNPSR1
SCHEMBL16212652 0.84 GSK3B (0.51) GSK3BALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16212553 0.84 GSK3B (0.55) GSK3BALDH1A1MAPTHPGDPOLB
SCHEMBL16212766 0.79 EED (0.46) GSK3BALDH1A1SMN1; SMN2HTR1AEED
SCHEMBL2454697 0.79 GSK3B (0.46) GSK3BMAPTHPGDSMN1; SMN2POLB
SCHEMBL18430430 0.78 KDM4E (0.49) GSK3BALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16212681 0.76 GSK3B (0.43) GSK3BALDH1A1MAPTHPGDNPSR1
SCHEMBL16212948 0.74 EED (0.46) ALDH1A1MAPTPOLBRAB9AKMT2A

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-2991980-B1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
WO-2014177982-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-11-06 WO disclosed