SCHEMBL16675451

SCHEMBL16675451

C=CC(=O)OCCCOCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.60
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL19890324 0.96 THRB (0.64) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL17743609 0.90 THRB (0.77) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL24595537 0.90 THRB (0.66) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL12973262 0.89 THRB (0.70) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL14900267 0.89 THRB (0.74) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL22960119 0.87 THRB (0.66) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL13642702 0.87 THRB (0.54) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL15697263 0.87 THRB (0.54) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL13433215 0.86 ALDH1A1 (0.58) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL126691 0.86 THRB (0.81) THRBTSHRALDH1A1CYP3A4TP53

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-20150117896-A1 CLEANING BLADE AND IMAGE FORMING APPARATUS INCLUDING SAME RICOH COMPANY, LTD. (JP) 2015-04-30 US disclosed