SCHEMBL13943169

SCHEMBL13943169

CCOC(=O)C(C)(C)C[C@@H]1[C@](C)(CC)CC[C@]2(C)C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 7/20 0.61
TERT O14746 4/20 0.61
PTPN1 P18031 1/20 0.54
CASP1 P29466 1/20 0.54
ABHD6 Q9BV23 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSP90AB1 P08238 5/20 0.54
CASP3 P42574 5/20 0.54
CDC37 Q16543 5/20 0.54
PRDX1 Q06830 2/20 0.54
HSP90AA1 P07900 1/20 0.53

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
SCHEMBL13944035 0.89 TERT (0.57) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL20611 0.84 NR4A1 (0.54) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL13944031 0.81 HSP90AA1 (0.57) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL13944053 0.79 NR4A1 (0.54) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL13944047 0.76 HSP90AB1 (0.54) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL12395123 0.76 NR4A1 (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL18782343 0.75 NR4A1 (0.74) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL23054530 0.75 HSP90AB1 (0.49) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL18781890 0.73 PRDX1 (0.80) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL17124742 0.73 NR4A1 (0.75) NR4A1TERTPTPN1CASP1ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026163-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 WO disclosed