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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4637644

CCCCC1(CC)NC(c2ccccc2)C2=C(C=C(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)C(SC)C2=O)SC1=O.N

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.33
▸ SLC10A2 Q12908 2/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL4617929 0.80 NR1H4 (0.36) NR1H4KMT2AATM
SCHEMBL6270865 0.79 SLC10A2 (0.37) SLC10A2KMT2A
SCHEMBL4596808 0.72 NR1H4 (0.36) NR1H4KMT2AATM
SCHEMBL3834127 0.72 NR1H4 (0.38) NR1H4KMT2AATM
SCHEMBL4664295 0.72 NR1H4 (0.37) NR1H4KMT2AATM
Ammonia Solution, Strong SCHEMBL3875475 0.71 — —
SCHEMBL1184606 0.69 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL4637650 0.69 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL3832238 0.69 KMT2A (0.39) NR1H4KMT2AATM
SCHEMBL5709100 0.68 NR1H4 (0.40) 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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 — — EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 — — WO disclosed