SCHEMBL8965566

SCHEMBL8965566

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
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
SCHEMBL8966172 0.91 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965801 0.89 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965559 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27617064 0.84 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965588 0.84 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26841662 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1373352 0.82 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1092841 0.82 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10758374 0.82 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1374266 0.82 TSHR (0.45) 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