SCHEMBL8965770

SCHEMBL8965770

C=CC(=O)OCCC(O)C(C)OC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.32
ABCB1 P08183 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 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
SCHEMBL28449331 0.84 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27720504 0.82 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL262349 0.80 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL142522 0.80 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800526 0.80 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800524 0.80 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965496 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10398482 0.79 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL1405779 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2284196 0.78 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed