SCHEMBL29265102

SCHEMBL29265102

NC(Cl)CCCCCCCCCCNCc1ccc(C=O)o1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL29265122 0.99 ALDH1A1 (0.41) CHRM2ALDH1A1TSHRCA1CA2
SCHEMBL9303004 0.77 CHRM2 (0.50) CHRM2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29265104 0.67 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL31498245 0.66 HIF1A (0.49) ALDH1A1TSHR
SCHEMBL31498244 0.66 HIF1A (0.49) ALDH1A1TSHR
SCHEMBL14624779 0.66 ALDH1A1 (0.57) CHRM2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29265123 0.65 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL669513 0.63
SCHEMBL319054 0.63
SCHEMBL14157308 0.63

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-118164932-A Furanyl gemini quaternary ammonium salt compound, preparation method and application 浙江糖能科技有限公司 2024-06-11 CN disclosed