SCHEMBL4782435

SCHEMBL4782435

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)c3ccc(O)cc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
SLC10A1 Q14973 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
UBE2N P61088 1/20 0.32
POLB P06746 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL5709066 0.94 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL14677825 0.94 NR1H4 (0.62) NR1H4KMT2AATM
SCHEMBL6231057 0.93 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL5706924 0.93 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4617439 0.93 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL5709130 0.92 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL4597959 0.91 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL5706923 0.91 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL5709135 0.90 NR1H4 (0.52) NR1H4KMT2AATM
SCHEMBL4598052 0.89 NR1H4 (0.51) NR1H4FNTAFNTBKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed
EP-1699758-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061451-A1 DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed