SCHEMBL9848771

SCHEMBL9848771

C=CC(=O)OCCOC(OCCOC(=O)C=C)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.54
▸ CES1 P23141 2/20 0.50
▸ TSHR P16473 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14523011 0.94 THRB (0.48) THRBCES1TSHRALDH1A1HIF1A
SCHEMBL11484128 0.82 CES1 (0.57) CES1ALDH1A1HIF1ACYP3A4TDP1
SCHEMBL17320925 0.82 THRB (0.59) THRBTSHRALDH1A1HIF1ATP53
SCHEMBL9848763 0.81 CES1 (0.51) THRBCES1TSHRALDH1A1HIF1A
SCHEMBL10437472 0.79 THRB (0.56) THRBTSHRALDH1A1HIF1ATP53
SCHEMBL28881924 0.79 CES1 (0.57) THRBCES1TSHRALDH1A1TP53
SCHEMBL274928 0.79 CES1 (0.56) CES1TSHRALDH1A1HIF1AHSD17B10
SCHEMBL7591391 0.79 CES1 (0.56) CES1TSHRALDH1A1HIF1ATP53
SCHEMBL3266492 0.79 CES1 (0.65) CES1TSHRALDH1A1AKT1TDP1
SCHEMBL9860776 0.79 CES1 (0.64) CES1TSHRALDH1A1HIF1AHSD17B10

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-0456040-A1 Copolymerisable photoinitiators of the benzil ketal type CIBA-GEIGY AG (CH) 1991-11-13 — — EP disclosed
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