SCHEMBL14780972

SCHEMBL14780972

C=CC(=O)OCCOCCNC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)NCCOCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.45
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL13309597 0.96 THRB (0.45) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL12866520 0.94 THRB (0.52) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16804047 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6292051 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL7631129 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19770675 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL12281676 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16919771 0.89 THRB (0.60) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14464243 0.86 THRB (0.53) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14173110 0.86 THRB (0.65) THRBALDH1A1KDM4ESMN1; SMN2GAA

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-8399569-B2 Reactive urethane compound having ether bond, curable composition, and cured material SHOWA DENKO K.K. (JP) 2013-03-19 US disclosed