SCHEMBL4973506

SCHEMBL4973506

O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc([AsH]Cc2cc(O)ccc2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.67
CKS1B P61024 3/20 0.67
SKP2 Q13309 3/20 0.67
SKP1 P63208 1/20 0.67
EGFR P00533 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL182500 0.80 HSP90AA1 (1.00) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL29375858 0.80 HSP90AA1 (1.00) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL4973520 0.80 HSP90AA1 (0.43) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL31168812 0.72 CKS1B (0.64) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL3651340 0.72 CKS1B (0.64) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL18263261 0.70 CKS1B (0.67) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL685883 0.69 ALDH1A1 (0.56) HSP90AA1CKS1BSKP2SKP1ALDH1A1
SCHEMBL14431702 0.68 HSP90AA1 (0.77) HSP90AA1CKS1BSKP2SKP1EGFR
SCHEMBL6368046 0.68 POLB (0.54) HSP90AA1CKS1BSKP2SKP1ALDH1A1
SCHEMBL28462445 0.68 HSP90AA1 (0.50) HSP90AA1CKS1BSKP2SKP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976594-A2 COMPOSITIONS AND METHODS OF USE FOR ANTIBODIES OF DICKKOPF-1 AND/OR -4 Novartis AG (CH) 2008-10-08 EP disclosed
WO-2007084344-A2 COMPOSITIONS AND METHODS OF USE FOR ANTIBODIES OF DICKKOPF-1 AND/OR -4 NOVARTIS AG (CH) 2007-07-26 WO disclosed