SCHEMBL4781373

SCHEMBL4781373

CCOC(=O)C(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 8/20 0.45
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2705273 0.86 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2702360 0.83 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL26159159 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL26159160 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2705838 0.76 MEN1 (0.55) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1292014 0.75 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL28671140 0.71 KCNA3 (0.60) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL22578028 0.70 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL28556783 0.69 MAPT (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4729600 0.69 HTT (0.43) KMT2AMEN1ALDH1A1POLBKDM4E

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-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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