SCHEMBL25784336

SCHEMBL25784336

C=CC(=O)OCCCC(=O)OCCOC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
DGKA P23743 1/20 0.40
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.34
DNM1 Q05193 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL25784347 0.91 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL25784344 0.90 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3821048 0.88 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2759291 0.86 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11920491 0.85 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL25718098 0.84 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16352577 0.84 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10033523 0.83 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2777581 0.83 DGKA (0.57) TSHRALDH1A1CYP3A4DGKAMAPT
SCHEMBL16405349 0.83 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4TP53

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-20230217718-A1 METHOD FOR PRODUCING LIGHT-EMITTING ELEMENTS CENTRAL GLASS COMPANY, LIMITED (JP) 2023-07-06 US disclosed