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SCHEMBL8928353

SCHEMBL8928353

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(COCc1ccc(N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.36
▸ CA1 P00915 10/20 0.36
▸ CA2 P00918 10/20 0.36
▸ CA4 P22748 4/20 0.36
▸ PPARG P37231 1/20 0.35
▸ NR1D1 P20393 4/20 0.33
▸ CTSS P25774 1/20 0.33
▸ NR1H3 Q13133 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KLK7 P49862 1/20 0.30
▸ KLK5 Q9Y337 1/20 0.30
▸ CACNA1B Q00975 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
SCHEMBL8928375 0.86 NR1D1 (0.47) PPARAPPARGNR1D1NR1H3
SCHEMBL8059351 0.85 PPARA (0.46) PPARAPPARGCTSSL3MBTL1KLK7
SCHEMBL8387845 0.83 — —
SCHEMBL8928369 0.82 PPARA (0.36) PPARACA1CA2PPARGCTSS
SCHEMBL6432521 0.80 PPARA (0.43) PPARACA1PPARGCTSSL3MBTL1
SCHEMBL6429868 0.79 PPARA (0.43) PPARACA1PPARGCTSSL3MBTL1
SCHEMBL7511620 0.75 CTSS (0.40) CA1CA2CA4NR1D1CTSS
SCHEMBL7666444 0.75 ATM (0.40) CA1CTSSKLK5
SCHEMBL8579974 0.74 CTSK (0.40) CA1CA2CA4CTSS
SCHEMBL8581434 0.74 ITGB3 (0.37) PPARAPPARGNR1D1

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-5649537-A CONJUGATION OF A BILE ACID WITH A CHELATING AGENT AND BI- OR TRIVALENT METALS; IMAGING OF THE HEPTATOBILIARY SYSTEM; NUCLEAR MAGNETIC RESONANCE DIBRA S.P.A. (IT) 1997-07-22 — — US disclosed