SCHEMBL21753955

SCHEMBL21753955

CCSC(=S)Nc1ccccc1.[Cu]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.59
TAS2R38 P59533 3/20 0.50
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 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
SCHEMBL3723780 0.98 PHGDH (0.61) PHGDHTAS2R38HDAC3HDAC4HDAC1
SCHEMBL28501426 0.96 PHGDH (0.59) PHGDHTAS2R38HDAC3HDAC4HDAC1
SCHEMBL27267591 0.83 PHGDH (0.57) PHGDHTAS2R38KMT2AALDH1A1HSD17B10
SCHEMBL11673231 0.81 GAA (0.52) PHGDHHDAC3HDAC4HDAC1HDAC7
SCHEMBL31122194 0.79 ALDH1A1 (0.59) PHGDHTAS2R38HDAC3HDAC4HDAC1
SCHEMBL28513540 0.79 ALDH1A1 (0.64) PHGDHTAS2R38HDAC3HDAC4HDAC1
SCHEMBL14602851 0.78 ALDH1A1 (0.58) PHGDHTAS2R38HDAC3HDAC4HDAC1
SCHEMBL1286315 0.77 PHGDH (0.71) PHGDHTAS2R38KMT2AALDH1A1HSD17B10
SCHEMBL7784610 0.77 PHGDH (0.59) PHGDHTAS2R38KMT2AALDH1A1HSD17B10
SCHEMBL3075966 0.77 PHGDH (0.77) PHGDHTAS2R38KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023190181-A1 CROSSLINKING COMPOSITION AND RUBBER MATERIAL OBTAINED BY CROSSLINKING SAME 株式会社大阪ソーダ 2023-10-05 WO disclosed
WO-2022071279-A1 RUBBER COMPOSITION 株式会社大阪ソーダ 2022-04-07 WO disclosed
WO-2022071281-A1 RUBBER COMPOSITION 株式会社大阪ソーダ 2022-04-07 WO disclosed
WO-2020040215-A1 RESIN-CONTAINING RUBBER COMPOSITION 株式会社大阪ソーダ 2020-02-27 WO disclosed