SCHEMBL10697749

SCHEMBL10697749

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 5/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRA P10827 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL19583189 0.93 TSHR (0.46) TSHRHPGDTHRBATMALDH1A1
SCHEMBL105694 0.92 TSHR (0.55) TSHRHPGDTHRBATMALDH1A1
SCHEMBL19583216 0.90 TSHR (0.41) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11581248 0.89 TSHR (0.38) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL19583187 0.86 TSHR (0.49) TSHRHPGDTHRBATMALDH1A1
SCHEMBL4957917 0.86 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28348648 0.86 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11803433 0.85 TSHR (0.38) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL2921941 0.85 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL752302 0.84 TSHR (0.53) TSHRHPGDTHRBATMALDH1A1

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
EP-0280295-A2 A heat-resistant photosensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 1988-08-31 EP disclosed