SCHEMBL5016254

SCHEMBL5016254

CC(C)(C)CC(C)(C)c1ccc(OC(c2ccc(C(C)(C)CC(C)(C)C)cc2C(C)(C)CC(C)(C)C)C(CO)(CO)CO)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
CYP3A4 P08684 4/20 0.39
SHBG P04278 1/20 0.36
USP2 O75604 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
MAPK1 P28482 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 5/20 0.32
UBE2N P61088 3/20 0.32
TP53 P04637 2/20 0.32
RAD52 P43351 2/20 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
SCHEMBL5012975 0.86 MAPK1 (0.46) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL5016251 0.83 CNR2 (0.42)
SCHEMBL7640213 0.83 MAPK1 (0.44) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL996129 0.82 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4SHBGUSP2LMNA
SCHEMBL28097663 0.80 CYP3A4 (0.33) SMN1; SMN2CYP3A4SHBGUSP2LMNA
SCHEMBL75189 0.79 CYP2C19 (0.33) SMN1; SMN2CYP3A4HSD17B10MEN1KMT2A
Phosphine SCHEMBL8374080 0.78 TRPV1 (0.33) SMN1; SMN2CYP3A4HSD17B10MEN1KMT2A
SCHEMBL28276179 0.78 MEN1 (0.33) SMN1; SMN2CYP3A4LMNAMEN1KMT2A
SCHEMBL7640210 0.76 MAPK1 (0.40) SMN1; SMN2MEN1KMT2AMAPK1NPSR1
SCHEMBL190993 0.76 TRPV1 (0.34) CYP3A4HSD17B10ALDH1A1CYP1A2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed