SCHEMBL28014440

SCHEMBL28014440

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CACNA2D2 Q9NY47 1/20 0.34
▸ ENPP2 Q13822 3/20 0.34

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
SCHEMBL28014443 0.93 CYP3A4 (0.47) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL28015107 0.90 TSHR (0.44) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL3740920 0.85 TSHR (0.62) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL27495233 0.82 CYP3A4 (0.43) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL28015109 0.82 CACNA2D1 (0.41) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL31461597 0.80 TSHR (0.58) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL29104733 0.80 TSHR (0.58) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL27638608 0.80 TSHR (0.46) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL26739619 0.79 MAPT (0.40) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL27559533 0.79 TSHR (0.56) TSHRCYP3A4ATMTDP1MAPT

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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