SCHEMBL22793540

SCHEMBL22793540

CC(C)[C@@H](O)[C@H](CCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
IL6ST P40189 1/20 0.40
FAAH O00519 1/20 0.40
CYP2C19 P33261 1/20 0.36
ACE P12821 2/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
IDH1 O75874 5/20 0.35
NAAA Q02083 1/20 0.35
AGTR2 P50052 2/20 0.35
CAPN1 P07384 2/20 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
SCHEMBL20695123 0.87 PPARA (0.47) PPARAIL6STFAAHCYP2C19CSNK2B
SCHEMBL20695126 0.87 PPARA (0.47) PPARAIL6STFAAHCYP2C19CSNK2B
SCHEMBL20695124 0.87 PPARA (0.47) PPARAIL6STFAAHCYP2C19CSNK2B
SCHEMBL19423219 0.87 PPARA (0.47) PPARAIL6STFAAHCYP2C19CSNK2B
SCHEMBL19423252 0.87 PPARA (0.47) PPARAIL6STFAAHCYP2C19CSNK2B
SCHEMBL3782695 0.85 PPARA (0.43) PPARAIL6STFAAHCSNK2BCSNK2A1
SCHEMBL3782697 0.85 PPARA (0.43) PPARAIL6STFAAHCSNK2BCSNK2A1
SCHEMBL6671341 0.85 PPARA (0.43) PPARAIL6STFAAHCSNK2BCSNK2A1
SCHEMBL6597608 0.83 PPARA (0.47) PPARAIL6STFAAHIDH1NAAA
SCHEMBL20708959 0.83 PPARA (0.40) PPARAIL6STFAAHCYP2C19IDH1

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-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed