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SCHEMBL5709100

SCHEMBL5709100

CCCCC1(CCCC)NSC2=C(C(=O)C(SC)C(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)O)c3ccc(O)cc3)=C2)N(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.40
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL4617149 0.96 NR1H4 (0.35) NR1H4
SCHEMBL3832617 0.94 NR1H4 (0.39) NR1H4KMT2AATM
SCHEMBL3832238 0.94 KMT2A (0.39) NR1H4KMT2AATM
SCHEMBL5821003 0.93 NR1H4 (0.39) NR1H4KMT2AATM
SCHEMBL4616597 0.93 NR1H4 (0.43) NR1H4KMT2AATM
SCHEMBL6429743 0.93 NR1H4 (0.43) NR1H4KMT2AATM
SCHEMBL3834127 0.90 NR1H4 (0.38) NR1H4KMT2AATM
SCHEMBL4631606 0.90 NR1H4 (0.35) NR1H4
SCHEMBL4664295 0.90 NR1H4 (0.37) NR1H4KMT2AATM
SCHEMBL6157024 0.90 NR1H4 (0.34) NR1H4KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 — — EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 — — WO disclosed