SCHEMBL9725752

SCHEMBL9725752

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ALOX12 P18054 2/20 0.39
ALOX15 P16050 1/20 0.39
ABCB1 P08183 1/20 0.39
AAK1 Q2M2I8 4/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
METAP1 P53582 1/20 0.37
REN P00797 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
SCHEMBL7295320 1.00 CA1 (0.44) CA1CA2CA7ALOX12ALOX15
SCHEMBL7309940 1.00 CA1 (0.44) CA1CA2CA7ALOX12ALOX15
SCHEMBL7295314 1.00 CA1 (0.44) CA1CA2CA7ALOX12ALOX15
SCHEMBL9725745 1.00 CA1 (0.44) CA1CA2CA7ALOX12ALOX15
SCHEMBL9849779 0.91 GAA (0.47) AAK1CTSLCTSBCTSSCTSK
SCHEMBL9849789 0.91 GAA (0.47) AAK1CTSLCTSBCTSSCTSK
SCHEMBL6577311 0.88 CA1 (0.40) CA1CA2CA7ALOX12ALOX15
SCHEMBL31341367 0.84 CNR2 (0.39) CA1CA2CA7ALOX12ALOX15
SCHEMBL15676168 0.84 METAP1 (0.40) CA1CA2CA7ALOX12ALOX15
SCHEMBL9740196 0.83 REN (0.41) REN

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed