SCHEMBL11292115

SCHEMBL11292115

CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
HSD17B10 Q99714 3/20 0.74
LMNA P02545 3/20 0.74
ALDH1A1 P00352 2/20 0.74
HPGD P15428 2/20 0.74
TP53 P04637 1/20 0.74
GAA P10253 3/20 0.54
ADORA3 P0DMS8 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FFAR3 O14843 1/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1663817 0.93 LMNA (0.87) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL7148358 0.88 ALDH1A1 (0.58) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL5359112 0.86 GAA (0.59) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL11256668 0.86 ALDH1A1 (0.57) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL9139821 0.85 ALDH1A1 (1.00) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL9831538 0.84 LMNA (0.71) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL7107070 0.82 LMNA (0.69) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL17367963 0.80 ALDH1A1 (0.87) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL9671967 0.80 ALDH1A1 (0.87) TSHRHSD17B10LMNAALDH1A1HPGD
SCHEMBL8655261 0.79 ALDH1A1 (0.65) TSHRHSD17B10LMNAALDH1A1HPGD

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
US-4317768-A A PHENYL DIESTER OF 3,5-DICARBOXY-1,4-DIHYDROPYRIDINE LABAZ (FR) 1982-03-02 US disclosed
US-4239893-A STABILIZERS FOR VINYL RESINS LABAZ (FR) 1980-12-16 US disclosed