SCHEMBL14450381

SCHEMBL14450381

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)CC(c3ccccc3)c3ccc(C)cc3)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 1/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FABP5 Q01469 1/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BMP1 P13497 1/20 0.35

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
SCHEMBL13227693 0.92 KMT2A (0.45) KMT2AMEN1POLBMDM2CASP3
SCHEMBL27214060 0.91 KMT2A (0.54) KMT2AMEN1POLBMDM2NPC1
SCHEMBL31749265 0.91 KMT2A (0.54) KMT2AMEN1POLBMDM2NPC1
SCHEMBL12200636 0.90 KMT2A (0.43) KMT2AMEN1POLBMDM2CASP3
SCHEMBL20586242 0.89 KMT2A (0.48) KMT2AMEN1POLBMDM2NPC1
SCHEMBL14007040 0.89 KMT2A (0.51) KMT2AMEN1POLBMDM2NPC1
SCHEMBL31146900 0.88 KMT2A (0.45) KMT2AMEN1MDM2CASP3NPC1
SCHEMBL3367289 0.88 KMT2A (0.45) KMT2AMEN1MDM2CASP3NPC1
SCHEMBL29368397 0.88 KMT2A (0.45) KMT2AMEN1MDM2CASP3NPC1
SCHEMBL1745934 0.88 KMT2A (0.45) KMT2AMEN1MDM2CASP3NPC1

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-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
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