SCHEMBL4726090

SCHEMBL4726090

CC(C)CCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.61
▸ PPARG P37231 1/20 0.54
▸ NR1H3 Q13133 1/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ PLA2G1B P04054 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL10584174 0.83 KDM4E (0.59) KMT2APPARGNR1H3MEN1KDM4E
SCHEMBL11862277 0.80 KDM4E (0.74) KMT2APPARGNR1H3MEN1KDM4E
1,4-Diisopentoxybenzene SCHEMBL2846102 0.75 TDP1 (0.79) KMT2AALDH1A1TDP1GAARAB9A
SCHEMBL2550387 0.74 NR1H3 (0.81) KMT2ANR1H3MEN1KDM4EALDH1A1
SCHEMBL31050182 0.73 KMT2A (0.64) KMT2APPARGNR1H3MEN1KDM4E
SCHEMBL3408445 0.73 KMT2A (0.66) KMT2ANR1H3MEN1KDM4EALDH1A1
SCHEMBL2209458 0.73 L3MBTL1 (0.76) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL3595826 0.73 LTA4H (0.57) —
SCHEMBL9968683 0.73 KMT2A (0.50) KMT2APPARGNR1H3MEN1PLA2G1B
SCHEMBL195569 0.73 TDP1 (0.64) ALDH1A1HPGDTDP1GAAMAPK1

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-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 — — WO disclosed
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