SCHEMBL31223906

SCHEMBL31223906

CCCCCCCCCCCCCCCC[N+]1(CCC)CCOCC1.CCOS(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
CDC25A P30304 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL31349907 0.92 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1207771 0.92 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29975144 0.82 CDC25A (0.40) TSHRCDC25ACTDSP1
SCHEMBL11010044 0.80 CDC25A (0.39) RECQLGLAHPGDTSHRMAPK1
Sulfuric Acid SCHEMBL21819838 0.79 CDC25A (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4757923 0.79 CTDSP1 (0.33) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3275678 0.78 CDC25A (0.41) TSHRCDC25ACTDSP1
SCHEMBL10537448 0.78 CDC25A (0.41) TSHRCDC25ACTDSP1
SCHEMBL4071466 0.78 CDC25A (0.41) TSHRCDC25ACTDSP1
SCHEMBL11515636 0.78 CDC25A (0.41) TSHRCDC25ACTDSP1

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
CN-119020110-A Cleaning composition combining two effects of softening and cleaning 上海琪捷联创生物科技有限公司 2024-11-26 CN claimed
CN-119020111-A Fabric cleaning composition for removing hair of pet 上海琪捷联创生物科技有限公司 2024-11-26 CN claimed
CN-119020110-A Cleaning composition combining two effects of softening and cleaning 上海琪捷联创生物科技有限公司 2024-11-26 CN disclosed
CN-119020111-A Fabric cleaning composition for removing hair of pet 上海琪捷联创生物科技有限公司 2024-11-26 CN disclosed