SCHEMBL28575258

SCHEMBL28575258

CC[C@H](C)CS(=O)(=O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN8A Q9UQD0 2/20 0.32
SCN1B Q07699 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PKM P14618 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
EP300 Q09472 1/20 0.32
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ACP1 P24666 1/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 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
SCHEMBL28573509 1.00 CTSL (0.33) CTSLCTSBCTSSCTSKTDP1
SCHEMBL8797268 0.80 FBP1 (0.38) ALDH1A1PKMSLC40A1FBP1ACP1
SCHEMBL22951441 0.71 ALDH1A1 (0.36) TDP1ALDH1A1SLC40A1EP300FBP1
SCHEMBL3511229 0.68 CYP2C19 (0.40) ALDH1A1PKMSLC40A1ACP1
SCHEMBL7826145 0.68
SCHEMBL502516 0.67 ABCC9 (0.44) TDP1ALDH1A1PKMSLC40A1FBP1
SCHEMBL14011290 0.67 EP300 (0.51) ALDH1A1EP300
SCHEMBL10141907 0.66 FDPS (0.49) CTSKALDH1A1PKMFBP1
SCHEMBL16350260 0.66 SQLE (0.39) TDP1ALDH1A1PKMSLC40A1EP300
SCHEMBL28584379 0.66 HTR7 (0.50) CTSKFBP1

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-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN claimed
CN-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN disclosed
CN-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN disclosed