SCHEMBL8003379

SCHEMBL8003379

COCCOCOc1c(I)cc(C(=O)c2ccccc2)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
PPARA Q07869 3/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
ING2 Q9H160 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CTNNB1 P35222 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8003396 0.87 TUBB4A (0.48) GAAL3MBTL1LMNAMAPTMAPK1
Benzophenone SCHEMBL9305650 0.76 ALDH1A1 (0.64) GAAL3MBTL1LMNAMAPTATM
SCHEMBL6728497 0.76 THRA (0.61) GAAL3MBTL1THRATHRBMAPK1
SCHEMBL6730923 0.75 KDM5A (0.73) LMNAMAPTTHRATHRBMAPK1
SCHEMBL7266961 0.72 MAPT (0.72) GAAL3MBTL1LMNAMAPTMAPK1
SCHEMBL6737179 0.72 RARG (0.48) L3MBTL1ALDH1A1SMN1; SMN2RARG
SCHEMBL5989261 0.72 FDPS (0.34) L3MBTL1LMNAMAPTMAPK1CYP2C9
SCHEMBL6736947 0.70 MAPT (0.46) GAAL3MBTL1LMNAMAPTNPC1
SCHEMBL11472938 0.70 ATM (0.57) GAAL3MBTL1LMNAMAPTPPARA
SCHEMBL2868546 0.70 KMT2A (0.61) NPC1SMN1; SMN2

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
US-6063815-A TREATMENT OF METABOLIC DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-16 US disclosed