SCHEMBL4199672

SCHEMBL4199672

C=CC(=O)OCc1ccc(COCCCC)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 2/20 0.53
THRB P10828 6/20 0.43
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
ATM Q13315 1/20 0.37
THRA P10827 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL13945599 0.83 THRB (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL15366668 0.82 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL12192466 0.82 TSHR (0.58) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28158410 0.80 TSHR (0.40) TSHRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL23695683 0.79 ALDH1A1 (0.47) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4195357 0.77 SMN1; SMN2 (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL19441385 0.77 TSHR (0.38) TSHRALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL4195636 0.76 TSHR (0.48) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7269709 0.76 ALOX5 (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2301644 0.76 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 US disclosed
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 US disclosed
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 US disclosed