SCHEMBL4875634

SCHEMBL4875634

C=C(C)C(=O)NC(C)C.C=CC(=O)OCCO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TGFBR1 P36897 1/20 0.39
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.30

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
Acrylamide SCHEMBL29120843 0.85 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21829112 0.83 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
Chloromethane SCHEMBL2315463 0.82 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10936951 0.80 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL6888124 0.79 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL1085237 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2942280 0.78 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4619099 0.77 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL28812158 0.77 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL932598 0.77 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A

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-8822585-B2 Aqueous dispersion of polymeric particles ROHM AND HAAS COMPANY (US) 2014-09-02 US disclosed
US-20080058457-A1 Aqueous dispersion of polymeric particles ROHM AND HAAS COMPANY 2008-03-06 US disclosed