SCHEMBL8581787

SCHEMBL8581787

CCOC(=O)C[C@@H](Cc1ccc(-c2cc(F)ccc2O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 4/20 0.44
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MME P08473 6/20 0.38
▸ TSHR P16473 1/20 0.37
▸ ACE P12821 2/20 0.37
▸ PTPRB P23467 1/20 0.37
▸ GRM2 Q14416 1/20 0.36

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
SCHEMBL12975716 0.90 MMEL1 (0.43) MMEL1CTSSCTSKATMMME
SCHEMBL14959406 0.90 MMEL1 (0.43) MMEL1CTSSCTSKATMMME
SCHEMBL10198332 0.89 MMEL1 (0.58) MMEL1CTSSCTSKATMMME
SCHEMBL15943065 0.89 MMEL1 (0.45) MMEL1ATMMMEPTPRB
SCHEMBL12975711 0.85 MME (0.52) MMEL1CTSSCTSKATMMME
SCHEMBL8552371 0.83 MME (0.50) MMEL1MMEACE
SCHEMBL14952827 0.83 MMEL1 (0.65) MMEL1MME
SCHEMBL12975292 0.83 MMEL1 (0.65) MMEL1MME
SCHEMBL31258217 0.81 CTSS (0.52) CTSSCTSKACE
SCHEMBL1912622 0.81 CTSS (0.55) MMEL1CTSSCTSKATMMME

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-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
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