SCHEMBL28343182

SCHEMBL28343182

O=C(O)c1sc(C(=O)O)c2c1OCCO2.[Cd]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
GPR35 Q9HC97 3/20 0.32
XDH P47989 1/20 0.32
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1720848 0.98 BAZ2B (0.35) BAZ2BTSHRALDH1A1HPGDPIK3CD
Water SCHEMBL6834330 0.95 XDH (0.35) BAZ2BTSHRALDH1A1HPGDPIK3CD
SCHEMBL8539380 0.83 ALDH1A1 (0.34) TSHRALDH1A1HPGDPIK3CDPIK3CA
SCHEMBL3975442 0.83 GPR35 (0.40) BAZ2BGPR35
SCHEMBL14646968 0.80 KDM4E (0.33) KDM4E
SCHEMBL19836409 0.76 BAZ2B (0.34) BAZ2BTSHRHTT
SCHEMBL4984511 0.76 GPR35 (0.31) TSHRALDH1A1HPGDGPR35
SCHEMBL5730433 0.74
SCHEMBL4240972 0.74 ALDH1A1 (0.33) TSHRALDH1A1HPGDGPR35POLB
SCHEMBL14525955 0.71 HSD17B10 (0.47) BAZ2BTSHRALDH1A1HPGDHTT

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
CN-110590817-A 3, 4-ethylenedioxy group thiophene-2, 5-dicarboxylic acid cadmium complex and preparation method thereof 桂林理工大学 2019-12-20 CN claimed
CN-110590817-A 3, 4-ethylenedioxy group thiophene-2, 5-dicarboxylic acid cadmium complex and preparation method thereof 桂林理工大学 2019-12-20 CN disclosed
CN-110590817-A 3, 4-ethylenedioxy group thiophene-2, 5-dicarboxylic acid cadmium complex and preparation method thereof 桂林理工大学 2019-12-20 CN disclosed