SCHEMBL8894699

SCHEMBL8894699

[CH2]CC(=O)OCC(OCC)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.35
ATM Q13315 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
RECQL P46063 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL4848161 0.88 MGAM (0.34) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL8893862 0.86 MAPT (0.43) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL562350 0.85 MAPT (0.51) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL215227 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL523078 0.81 MAPT (0.49) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL226374 0.80 MAPT (0.56) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL3411007 0.80 MAPT (0.51) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL4856239 0.80 MGAM (0.31)
SCHEMBL809686 0.78 MAPT (0.59) ALDH1A1TSHRMAPTLMNAATM
SCHEMBL809589 0.78 MAPT (0.59) ALDH1A1TSHRMAPTLMNAATM

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
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed