SCHEMBL3707097

SCHEMBL3707097

COC(=O)c1c(C(=O)OC)n(-c2ccc(OCc3ccccc3)cc2)c2ccc(Oc3ccc(OC(C)C)cc3)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MCL1 Q07820 2/20 0.38
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PTGDR Q13258 1/20 0.38
PKM P14618 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL3710797 0.88 MAPT (0.43) MDM2MAPTKDM4EMAPK1HTT
SCHEMBL503725 0.83 MAPT (0.48) L3MBTL1LMNAMAPTKDM4EMAPK1
SCHEMBL503662 0.75 MAPT (0.44) MDM2L3MBTL1LMNAMAPTKDM4E
SCHEMBL3788120 0.73 MAPT (0.36) MDM2LMNAMAPTKDM4EMAPK1
SCHEMBL334112 0.71 MAPT (0.61) LMNAMAPTKDM4EMAPK1HTT
SCHEMBL334113 0.71 MAPT (0.57) LMNAMAPTKDM4EMAPK1HTT
SCHEMBL503848 0.69 MAPT (0.45) MDM2MAPTKDM4EMAPK1HTT
SCHEMBL333737 0.69 PPARG (0.45) MAPTKDM4EMAPK1HTTPKM
SCHEMBL4922512 0.69 SMN1; SMN2 (0.49) L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL503499 0.69 MDM2 (0.45) MDM2L3MBTL1LMNAMAPTKDM4E

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-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed