SCHEMBL3514047

SCHEMBL3514047

CCOC(=O)/C(=C(/C(=O)O)C(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP19A1 P11511 2/20 0.41
PIN1 Q13526 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL11857829 0.83 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9709278 0.79 CYP2C9 (0.44) ALDH1A1MAPTSMN1; SMN2PGRADRA2A
SCHEMBL9709284 0.79 CYP2C9 (0.44) ALDH1A1MAPTSMN1; SMN2PGRADRA2A
SCHEMBL15513 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL16160163 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL29117925 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL20924846 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL28222671 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14752765 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL7093267 0.77 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ANPC1

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-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed