SCHEMBL28014443

SCHEMBL28014443

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CACNA2D1 P54289 2/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CACNA2D2 Q9NY47 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM6B O15054 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ FOLH1 Q04609 3/20 0.35

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
SCHEMBL28014440 0.93 TSHR (0.53) CYP3A4TSHRATMTDP1CACNA2D1
SCHEMBL28015109 0.91 CACNA2D1 (0.41) CYP3A4TSHRATMTDP1CACNA2D1
SCHEMBL13609252 0.87 TSHR (0.55) CYP3A4TSHRATMTDP1MAPT
SCHEMBL27495234 0.85 CYP3A4 (0.39) CYP3A4TSHRATMTDP1CACNA2D1
SCHEMBL28015107 0.83 TSHR (0.44) CYP3A4TSHRATMTDP1CACNA2D1
SCHEMBL846984 0.79 EGLN1 (0.45) TSHRTDP1MAPTLMNAALDH1A1
SCHEMBL3740920 0.79 TSHR (0.62) CYP3A4TSHRATMTDP1ADRA1A
SCHEMBL13258361 0.79 LMNA (0.45) CYP3A4TSHRATMTDP1ADRA1A
SCHEMBL14571351 0.79 TSHR (0.48) CYP3A4TSHRATMTDP1MAPT
SCHEMBL13039835 0.78 MAPT (0.46) CYP3A4TSHRATMTDP1MAPT

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
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