SCHEMBL10697448

SCHEMBL10697448

C=CC(=O)OC(COCCOC(=O)O)OOCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.39
PLA2G2C Q5R387 4/20 0.39
HCAR2 Q8TDS4 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 3/20 0.35
THRA P10827 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL10697971 0.99 TSHR (0.40) TSHRHPGDPLA2G2CHCAR2ALDH1A1
SCHEMBL7691175 0.78 THRB (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7690556 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7683840 0.77 THRB (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10699859 0.76 PLA2G2C (0.40) TSHRHPGDPLA2G2CHCAR2
SCHEMBL10482045 0.75 THRB (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7685240 0.74 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11415578 0.73 LPAR1 (0.42) PLA2G2CHCAR2CYP3A4USP2
SCHEMBL11751232 0.73 MEN1 (0.45) TSHRHPGDPLA2G2CALDH1A1TP53
SCHEMBL10699703 0.73 TSHR (0.51) TSHRPLA2G2CHCAR2ALDH1A1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289933-A2 Graft polymerization precurser and method manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0277608-A2 Graft polymerization preformer and method of manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-08-10 EP disclosed