SCHEMBL2732425

SCHEMBL2732425

C=CC(=O)OCCC(CC)SC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.50
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 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL10033079 0.88 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28380332 0.79 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7949427 0.78 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Propane SCHEMBL6904776 0.77 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1398258 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1014076 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL902155 0.76 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4934470 0.75 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8213752 0.75 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11526620 0.75 TSHR (0.53) 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
EP-2065448-B1 Ink composition and ink jet recording method FUJIFILM CORP (JP) 2012-01-04 EP disclosed