SCHEMBL2016426

SCHEMBL2016426

C=CC(=O)O[C](CC)CC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
ALDH1A1 P00352 8/20 0.48
HPGD P15428 1/20 0.46
THRB P10828 5/20 0.42
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRA P10827 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4444009 0.79 TSHR (0.48) TSHRALDH1A1HPGDTHRBTP53
SCHEMBL466312 0.79
SCHEMBL11330174 0.77
SCHEMBL7192231 0.77 TSHR (0.46) TSHRALDH1A1HPGDTHRBTP53
SCHEMBL7189835 0.77 TSHR (0.46) TSHRALDH1A1HPGDTHRBTP53
SCHEMBL7192242 0.77 TSHR (0.46) TSHRALDH1A1HPGDTHRBTP53
SCHEMBL1148669 0.77 TSHR (0.46) TSHRALDH1A1HPGDTHRBTP53
SCHEMBL3886081 0.77
SCHEMBL278164 0.76
SCHEMBL27861517 0.75

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
US-20110160400-A1 Phosphoric and Acrylic Copolymer Resin Having Excellent Transparency and Flame Retardancy and Resin Composition Including the Same CHEIL INDUSTRIES INC. (KR) 2011-06-30 US disclosed