SCHEMBL28015109

SCHEMBL28015109

CC(C)CC(COC(=O)CCC(=O)O)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.41
▸ CACNB3 P54284 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CACNA2D2 Q9NY47 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ FOLH1 Q04609 8/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MMP2 P08253 2/20 0.36

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
SCHEMBL28015107 0.92 TSHR (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28014443 0.91 CYP3A4 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27495234 0.90 CYP3A4 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL846984 0.84 EGLN1 (0.45) TSHRTDP1EGLN1KDM6BKDM5C
SCHEMBL13258361 0.83 LMNA (0.45) ADRA1ACYP3A4TSHRATMTDP1
SCHEMBL28014440 0.82 TSHR (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27495233 0.81 CYP3A4 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13609252 0.80 TSHR (0.55) CYP3A4TSHRATMTDP1EGLN1
SCHEMBL27865301 0.79 EGLN1 (0.45) ADRA1ACYP3A4TSHRATMTDP1
Butane SCHEMBL2855806 0.78 MAPT (0.46) CYP3A4TSHRATMTDP1EGLN1

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-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 — — CN disclosed
Send feedback