SCHEMBL5596232

SCHEMBL5596232

Cc1cc(C)c(O)c(C(CP)c2cc(C)cc(C)c2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CA2 P00918 2/20 0.34
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
CA1 P00915 1/20 0.34
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
PTGS1 P23219 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
SCHEMBL5294769 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL10454719 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL39508 0.78 ALOX15 (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL29358673 0.78 ALOX15 (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL12510579 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL5596277 0.78 CYP3A4 (0.38) ALDH1A1KDM4EGAAMAPTCA2
SCHEMBL5596390 0.78 HPGD (0.46) ALDH1A1GAAPTGS1PTGS2TP53
SCHEMBL12430319 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL14493502 0.77 ALOX15 (0.46) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL5596195 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTLMNA

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