SCHEMBL10652170

SCHEMBL10652170

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
HPGD P15428 1/20 0.43
ALDH1A1 P00352 7/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GLO1 Q04760 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL28431788 0.85 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11539269 0.81 ALDH1A1 (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL645097 0.81 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6684854 0.79 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12910882 0.79 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21359691 0.78 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15820758 0.78 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27775575 0.78 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31125201 0.77 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3458991 0.77 TSHR (0.43) 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-4725629-A Process of making an interpenetrating superabsorbent polyurethane foam KIMBERLY-CLARK CORPORATION (US) 1988-02-16 US disclosed