SCHEMBL23036331

SCHEMBL23036331

COc1cc(C=C2C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.49
RXRA P19793 2/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL23036328 1.00 PPARG (0.49) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL23036396 0.92 PPARG (0.47) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL23036394 0.92 PPARG (0.47) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL24740963 0.92 LMNA (0.51) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL24062073 0.92 ALDH1A1 (0.44) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL23036558 0.91 ALDH1A1 (0.46) PPARGHPGDKDM4EALDH1A1LMNA
SCHEMBL23036562 0.91 ALDH1A1 (0.46) PPARGHPGDKDM4EALDH1A1LMNA
SCHEMBL23036303 0.91 PPARG (0.45) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL23036301 0.91 PPARG (0.45) PPARGRXRAHPGDKDM4EALDH1A1
SCHEMBL23036226 0.90 PPARG (0.48) PPARGRXRAHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784228-A1 ANTICANCER INDENES, INDANES, AZAINDENES, AZAINDANES, PHARMACEUTICAL COMPOSITIONS AND USES ADT Pharmaceuticals, LLC (US) 2021-03-03 EP claimed
CN-112020354-A Anti-cancer indenes, indanes, aza-indenes, aza-indanes, pharmaceutical compositions and uses ADT制药有限责任公司 2020-12-01 CN claimed
EP-3784228-A1 ANTICANCER INDENES, INDANES, AZAINDENES, AZAINDANES, PHARMACEUTICAL COMPOSITIONS AND USES ADT Pharmaceuticals, LLC (US) 2021-03-03 EP disclosed
CN-112020354-A Anti-cancer indenes, indanes, aza-indenes, aza-indanes, pharmaceutical compositions and uses ADT制药有限责任公司 2020-12-01 CN disclosed