SCHEMBL31498253

SCHEMBL31498253

CCN(C(=S)S)N1CCNCC1.[Cu+2]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
ABCB11 O95342 1/20 0.35
CYP2E1 P05181 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
GSDMD P57764 1/20 0.35
PHGDH O43175 1/20 0.31

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
SCHEMBL11020880 0.84 SIGMAR1 (0.36) HSD17B10ABCB11CYP2E1PTGS1HTT
SCHEMBL6632262 0.73 SIGMAR1 (0.36)
SCHEMBL10748425 0.72 HSD17B10 (0.37) HSD17B10PHGDH
SCHEMBL3912786 0.72
SCHEMBL27855514 0.72 SIGMAR1 (0.35)
SCHEMBL28700745 0.71 PHGDH (0.30) PHGDH
SCHEMBL31375877 0.71 HSD17B10 (0.36) HSD17B10PHGDH
SCHEMBL31375730 0.71 HSD17B10 (0.36) HSD17B10PHGDH
Selenium SCHEMBL31375818 0.71 HSD17B10 (0.36) HSD17B10PHGDH
SCHEMBL3918184 0.70

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-119776049-A Marine organism resistant lubricating grease and preparation method and application thereof 中国科学院兰州化学物理研究所 2025-04-08 CN disclosed