SCHEMBL5596191

SCHEMBL5596191

CP(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ALOX15 P16050 3/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
PKM P14618 2/20 0.53
KMT2A Q03164 2/20 0.53
RECQL P46063 1/20 0.53
CYP2D6 P10635 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.43
TYR P14679 2/20 0.43
ESR1 P03372 3/20 0.42
SIRT1 Q96EB6 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL5597007 0.82 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596233 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596680 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596196 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596033 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596113 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL50705 0.75 ALDH1A1 (1.00) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29358687 0.75 ALDH1A1 (1.00) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28492326 0.74 ALDH1A1 (0.86) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596154 0.73 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1

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