SCHEMBL30454829

SCHEMBL30454829

CCOC(=S)N(CC)CCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 7/20 0.34
EHMT2 Q96KQ7 3/20 0.32
EHMT1 Q9H9B1 3/20 0.32
ABCB11 O95342 2/20 0.32
HTT P42858 2/20 0.32
GSDMD P57764 2/20 0.32
CA4 P22748 2/20 0.32
CYP2E1 P05181 1/20 0.32
PTGS1 P23219 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ALDH2 P05091 2/20 0.31
PHGDH O43175 1/20 0.31
PLIN1 O60240 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
SCHEMBL29694576 0.81 ALDH1A1 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL2804115 0.79 CA12 (0.48) CA12CA1CA2CA9CHRNB2
SCHEMBL4015605 0.79 CA12 (0.43) CA12CA1CA2CA9EHMT2
SCHEMBL7603535 0.77 ALDH1A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL28178872 0.77 CA12 (0.42) CA12CA1CA2CA9EHMT2
SCHEMBL9320867 0.76 CA12 (0.53) CA12CA1CA2CA9EHMT2
SCHEMBL15173122 0.71 CA12 (0.37) CA12CA1CA2CA9EHMT2
SCHEMBL3269727 0.71 CA1 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL5972451 0.71 CA12 (0.37) CA12CA1CA2CA9EHMT2
SCHEMBL27347286 0.71 CA12 (0.37) CA12CA1CA2CA9EHMT2

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
CN-116477780-B Method for treating and recycling production wastewater of alkyl xanthate propylene ester 沈阳有研矿物化工有限公司 2025-05-23 CN disclosed
CN-116477780-A Method for treating and recycling production wastewater of alkyl xanthate propylene ester 沈阳有研矿物化工有限公司 2023-07-25 CN disclosed