SCHEMBL8429216

SCHEMBL8429216

C=CC(=O)OCCNC(=O)CCCCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.38
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
ENPP2 Q13822 1/20 0.36
FAAH O00519 2/20 0.36
CNR1 P21554 1/20 0.35
THRB P10828 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL16425942 0.93 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30646054 0.92 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16405348 0.88 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8014847 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25328275 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL30121599 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL30258755 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL30259226 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL7925576 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL30757948 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1

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-0956318-A1 RADIATION-CURABLE COMPOSITION DSM N.V. (NL) 1999-11-17 EP disclosed
WO-1998033855-A1 RADIATION-CURABLE COMPOSITION DSM N.V. (NL) 1998-08-06 WO disclosed