SCHEMBL5596154

SCHEMBL5596154

CCCCP(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR1 P03372 8/20 0.42
ESR2 Q92731 6/20 0.42
CYP2D6 P10635 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
RORC P51449 2/20 0.39
PGR P06401 1/20 0.39
RORA P35398 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
SCHEMBL5596113 0.90 ALDH1A1 (0.50) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596196 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596209 0.78 ALOX15 (0.42) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL5596233 0.74 ALDH1A1 (0.55) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596191 0.73 ALDH1A1 (0.59) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL3659858 0.73 GHSR (0.37) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596202 0.73 CYP2D6 (0.47) ALDH1A1MAPTMEN1GAAPKM
Hexane SCHEMBL28970658 0.73 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5597007 0.72 ALDH1A1 (0.57) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596901 0.72 TSHR (0.39) ALDH1A1MAPTMEN1RECQLKMT2A

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