SCHEMBL28645447

SCHEMBL28645447

CCC(O)C(=O)c1ccc(SC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ SLC6A4 P31645 4/20 0.43
▸ HAO1 Q9UJM8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL7884174 0.81 TAS1R3 (0.49) TAS1R3TAS1R1PLK1SLC6A4HAO1
SCHEMBL10852929 0.80 TAS1R3 (0.47) TAS1R3TAS1R1PLK1SLC6A4HAO1
SCHEMBL5829628 0.80 TAS1R3 (0.47) TAS1R3TAS1R1PLK1SLC6A4HAO1
SCHEMBL28376164 0.79 LMNA (0.56) SLC6A4HTTLMNAMAPTNPSR1
SCHEMBL289556 0.76 PGR (0.53) HTTLMNAMAPTKDM4EMMP12
SCHEMBL1822406 0.76 PGR (0.53) HTTLMNAMAPTKDM4EMMP12
SCHEMBL195425 0.76 PLK1 (0.53) TAS1R3TAS1R1PLK1HAO1HTT
SCHEMBL11186384 0.76 CES2 (0.53) TAS1R3TAS1R1PLK1SLC6A4HAO1
SCHEMBL10712431 0.76 USP5 (0.49) HTTLMNAPOLBALDH1A1HPGD
SCHEMBL7492485 0.75 TAS1R3 (0.58) TAS1R3TAS1R1PLK1SLC6A4HAO1

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
CN-108774426-B High-performance surface mounting ink and preparation method thereof 南雄市科鼎化工有限公司 2021-08-24 — — CN disclosed
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