SCHEMBL13899138

SCHEMBL13899138

C=CC(=O)OCCNC(=O)NCC1COC(=O)OC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL13899180 0.85 TSHR (0.36) TSHRGAAALDH1A1TP53HIF1A
SCHEMBL13899372 0.84 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13899170 0.82 TSHR (0.35) TSHRGAAALDH1A1TP53HIF1A
SCHEMBL21950054 0.79 EPHX1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5663537 0.77 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12570601 0.75 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13899179 0.74 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21950073 0.73 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13051495 0.72 TSHR (0.36) TSHRGAAALDH1A1TP53HIF1A
SCHEMBL12570592 0.71 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4

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-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed