SCHEMBL8857985

SCHEMBL8857985

CCCC[Sn](CCCC)(CCCC)OC(=O)C#CC(=O)O[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CES2 O00748 5/20 0.32
CES1 P23141 5/20 0.32
EPHX1 P07099 4/20 0.31
ATM Q13315 1/20 0.30
AKR1B1 P15121 1/20 0.30
TP53 P04637 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
SCHEMBL10430587 0.79 CES2 (0.36) ALDH1A1CES2CES1ATMAKR1B1
SCHEMBL9791638 0.79 CES2 (0.36) ALDH1A1CES2CES1ATMAKR1B1
SCHEMBL78640 0.77 ALDH1A1 (0.44) ALDH1A1CES2CES1ATMAKR1B1
SCHEMBL10479145 0.77 CA1 (0.34) ALDH1A1CES2CES1
SCHEMBL28519695 0.76 TSHR (0.33) ALDH1A1
SCHEMBL9716510 0.76 NAAA (0.43) ALDH1A1CES2CES1ATMAKR1B1
SCHEMBL2808152 0.76 DGKA (0.39) ALDH1A1CES2CES1AKR1B1TP53
SCHEMBL10430539 0.76 MGAM (0.37) ALDH1A1CES2CES1EPHX1
SCHEMBL8562712 0.74 ALDH1A1 (0.46) ALDH1A1CES2CES1AKR1B1TP53
SCHEMBL9194913 0.74 ATM (0.48) ALDH1A1CES2CES1ATM

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
EP-0781821-A2 Polyester powder coating composition SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-02 EP disclosed