SCHEMBL28932452

SCHEMBL28932452

CCCC(O)CCc1csc(Sc2cc(CCC(O)CCC)cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
STAT3 P40763 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 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
SCHEMBL28932453 0.80 HTR1A (0.34) HTR1ASTAT3
SCHEMBL2820904 0.67 TSHR (0.49) MMP12MMP13
SCHEMBL28685495 0.67 TNKS2 (0.34)
SCHEMBL14402642 0.67 TSHR (0.49) MMP12MMP13
SCHEMBL14968476 0.67 TSHR (0.49) MMP12MMP13
SCHEMBL1462321 0.66 CYP1A2 (0.43) HTR1ASTAT3MMP12MMP13
SCHEMBL1934439 0.66 ESR1 (0.52) HTR1A
SCHEMBL10826845 0.66 ADRB2 (0.59) HTR1A
SCHEMBL29105021 0.65 CA2 (0.36)
SCHEMBL10235651 0.64 HTR1A (0.47) HTR1A

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-110452629-B Vulcanized reflective cloth for bicycle tire 浙江夜光明光电科技股份有限公司 2022-01-07 CN disclosed