SCHEMBL23022656

SCHEMBL23022656

CCCC(CCN)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GABRR1 P24046 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL11526148 0.87 TSHR (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL25541805 0.86 ALDH1A1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4618188 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL11726366 0.82 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL11430044 0.82 ALDH1A1 (0.37) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL24218208 0.82 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL9412621 0.81 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL4653047 0.81 TSHR (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16202951 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4854735 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCA12CA1CA2

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
WO-2021033498-A1 WATER- AND OIL-REPELLING MEMBER AND WATER- AND OIL-REPELLING MEMBER PRODUCTION METHOD 信越化学工業株式会社 2021-02-25 WO disclosed