SCHEMBL4752576

SCHEMBL4752576

COc1cccc(O[C@@H](C)OC(=O)N2CCN(C(=O)O[C@H](C)Oc3cccc(OC)c3C)CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ABHD6 Q9BV23 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PKM P14618 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
SCHEMBL4298262 0.86 ALDH1A1 (0.45) KMT2AMEN1ABHD6HTTALDH1A1
SCHEMBL4752523 0.85 ABHD6 (0.43) KMT2AMEN1ABHD6HTTALDH1A1
SCHEMBL4297012 0.81 MEN1 (0.46) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL4303757 0.80 ABHD6 (0.41) KMT2AMEN1ABHD6HTTALDH1A1
SCHEMBL4296960 0.80 L3MBTL1 (0.47) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL4301342 0.78 ALDH1A1 (0.42) KMT2AMEN1ABHD6ALDH1A1KDM4E
SCHEMBL4293508 0.78 ALDH1A1 (0.42) KMT2AMEN1ABHD6ALDH1A1KDM4E
SCHEMBL4753584 0.78 ALDH1A1 (0.46) KMT2AABHD6HTTALDH1A1MAPT
SCHEMBL4752095 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBGAALMNA
SCHEMBL4750109 0.77 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EPOLB

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed