SCHEMBL3850342

SCHEMBL3850342

C=CC(=O)OCCC(C(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 3/20 0.32
ALOX15 P16050 1/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9060209 0.88 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28472133 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5057282 0.79 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL3361156 0.78 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13101258 0.77
SCHEMBL27856672 0.76 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.76 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.76 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.76 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL30787943 0.76 TSHR (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922883-B1 POLYMER AND ITS PREPARATION AND USE KEMIRA OYJ (FI) 2017-11-15 EP claimed
EP-1773905-B1 HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS, POLYMERS, AND COPOLYMERS, AND POLYURETHANES AND URETHANE ACRYLICS MADE THEREFROM LUBRIZOL ADVANCED MAT INC (US) 2013-10-09 EP claimed
EP-1784435-B1 METHODS FOR PRODUCING CROSSLINKABLE OLIGOMERS NUPLEX RESINS BV (NL) 2009-11-11 EP claimed