SCHEMBL21100916

SCHEMBL21100916

C=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
TSHR P16473 5/20 0.37
HPGD P15428 2/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
SRC P12931 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
INPPL1 O15357 3/20 0.33
INPP5A Q14642 2/20 0.33
PKM P14618 1/20 0.31
IDUA P35475 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
SCHEMBL21101084 0.86 THRB (0.34) THRBTSHRHPGDBLMALDH1A1
SCHEMBL10608569 0.80 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28458287 0.79 THRB (0.48) THRBTSHRHPGDBLMALDH1A1
SCHEMBL14679866 0.79 THRB (0.43) THRBTSHRHPGDBLMALDH1A1
SCHEMBL14341772 0.79 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9174872 0.78 THRB (0.57) THRBTSHRHPGDALDH1A1TP53
SCHEMBL4292409 0.75 SRC (0.47) TSHRBLMALDH1A1HIF1ASRC
SCHEMBL13223073 0.73 ALDH1A1 (0.45) THRBTSHRHPGDALDH1A1TP53
SCHEMBL15003869 0.73 THRB (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL279036 0.73 CA12 (0.46) TSHRHPGDBLMALDH1A1TP53

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-10322069-B2 Restorative resin compositions and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-06-18 US disclosed