SCHEMBL5596248

SCHEMBL5596248

CCCCc1cc(C)cc(C(c2cc(C)cc(CCCC)c2O)C(C)(C)P)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TYR P14679 3/20 0.35
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
ALOX5 P09917 5/20 0.34
PTGS2 P35354 3/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.32
EGFR P00533 1/20 0.32
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5596107 0.85 NPC1 (0.40) HTTTYRALOX5PTGS2NPC1
SCHEMBL5596607 0.81 TYR (0.39) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL3807221 0.80 TYR (0.40) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL5596558 0.79 HTT (0.37) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL12457769 0.77 HTT (0.38) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL17265719 0.77 TP53 (0.39) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL5596562 0.77 HSPA5 (0.49) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL280118 0.77 TYR (0.48) SMN1; SMN2HTTMAPTALDH1A1TYR
SCHEMBL5595950 0.77 NPC1 (0.44) SMN1; SMN2HTTALDH1A1CYP2C9CYP2C19
SCHEMBL28665182 0.75 TYR (0.47) SMN1; SMN2HTTMAPTALDH1A1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed