SCHEMBL20715971

SCHEMBL20715971

CC(=O)C(C)Cc1cccc(CC(Cc2cccc(CC(C)(C)C(=O)O)c2)(C(C)=O)C(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
SLC7A5 Q01650 4/20 0.36
REN P00797 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G10 O15496 3/20 0.32
PLA2G2A P14555 3/20 0.32
MME P08473 1/20 0.32
MMEL1 Q495T6 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL20715903 0.91 HPGD (0.39) HPGDSLC7A5RENNOS3NOS1
SCHEMBL20715969 0.88 SLC7A5 (0.36) HPGDSLC7A5RENCYP3A4TSHR
SCHEMBL20715975 0.88 SLC7A5 (0.36) HPGDSLC7A5RENNOS3NOS1
SCHEMBL20715965 0.88 ALDH1A1 (0.41) HPGDSLC7A5ALDH1A1KDM4EL3MBTL1
SCHEMBL20715974 0.87 REN (0.35) HPGDSLC7A5RENNOS3NOS1
SCHEMBL20715970 0.82 SLC7A5 (0.39) HPGDSLC7A5RENNOS3NOS1
SCHEMBL20715967 0.82 ALDH1A1 (0.37) HPGDALDH1A1KDM4EL3MBTL1CYP3A4
SCHEMBL14740848 0.78 CYP1A2 (0.45) HPGDALDH1A1KDM4EL3MBTL1CYP3A4
SCHEMBL29368049 0.77 CYP1A2 (0.44) HPGDALDH1A1PTGES2KDM4EL3MBTL1
SCHEMBL20715904 0.76 REN (0.37) SLC7A5RENCYP3A4TSHR

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
WO-2019025575-A1 PROCESSES FOR PREPARING COMPLEXES COMPRISING RHODIUM(II) AND CARBOXYLATE LIGANDS STOCKHOLM UNIVERSITY HOLDING AB (SE) 2019-02-07 WO disclosed
WO-2017129991-A2 PROCESSES FOR PREPARING STERICALLY CONGESTED DICARBOXYLIC ACID LIGANDS AND PRODUCTS THEREOF STOCKHOLM UNIVERSITY HOLDING AB (SE) 2017-08-03 WO disclosed