SCHEMBL11940288

SCHEMBL11940288

Cc1ccc2c(c1)C(C(=O)O)(C(=O)O)c1cc(C)c3ccccc3c1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
GRM2 Q14416 3/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CCR2 P41597 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10126595 0.78 PDK2 (0.43) PDK2LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL10126607 0.77 RXRA (0.38) PDK2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13776924 0.77 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL10111009 0.76 RXRA (0.37) PDK2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL10111191 0.73 PDK2 (0.36) PDK2ALDH1A1MAPK1ELANE
SCHEMBL13400931 0.71 PDE4D (0.36) PDK2LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL12396810 0.70 OPRM1 (0.45) PDK2ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL14671794 0.70 PDK2 (0.32) PDK2
SCHEMBL14671815 0.69 PDK2 (0.32) PDK2
SCHEMBL13400932 0.69 ACHE (0.40) PDK2LMNAALDH1A1TP53SMN1; SMN2

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-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed