SCHEMBL552060

SCHEMBL552060

C=CC(=O)OC(C)CCC(=C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 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
SCHEMBL3748335 0.84 TSHR (0.42) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL28253545 0.83 TSHR (0.41) TSHRALOX15HSD17B10
SCHEMBL29549861 0.82 TSHR (0.40) TSHRALDH1A1MAPK1HPGD
SCHEMBL31596347 0.82 FAAH (0.43) TSHRALDH1A1MAPK1HPGD
SCHEMBL6241875 0.82 HSD17B10 (0.38) TSHRALOX15HSD17B10ALDH1A1TP53
SCHEMBL672062 0.81 TSHR (0.50) TSHRHSD17B10ALDH1A1TP53CYP3A4
SCHEMBL12715226 0.80 TSHR (0.42) TSHRHSD17B10ALDH1A1TP53CYP3A4
SCHEMBL4446236 0.79 LMNA (0.44) TSHR
SCHEMBL2113464 0.79 ALOX15 (0.34) ALOX15HSD17B10
SCHEMBL5485998 0.79 TSHR (0.41) TSHRHSD17B10ALDH1A1TP53CYP3A4

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-8110645-B2 Curable resin composition KONISHI CO., LTD. (JP) 2012-02-07 US disclosed
US-7576167-B2 Curable resin composition KONISHI CO., LTD. (JP) 2009-08-18 US disclosed
US-20060189736-A1 Curable resin composition and cold-setting adhesive KONISHI CO., LTD. (JP) 2006-08-24 US disclosed