SCHEMBL3942372

SCHEMBL3942372

CC(C)c1cc(C(=O)O)nnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
HCAR3 P49019 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
CNR2 P34972 9/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
DAO P14920 1/20 0.34
ACE2 Q9BYF1 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
EIF4A3 P38919 2/20 0.33

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
SCHEMBL13751486 0.76 NPSR1 (0.42) CNR2
SCHEMBL3392295 0.72 ALDH1A1 (0.36) HCAR2HCAR3TSHRDAOGABRA1
SCHEMBL18798818 0.71 FABP3 (0.37) HCAR2FABP3FABP4ALOX15TSHR
SCHEMBL24912696 0.69 HCAR2 (0.40) HCAR2HCAR3FABP3FABP4ACE2
SCHEMBL16011538 0.68 GABRA1 (0.42) HCAR2FABP3FABP4TSHRGABRA1
SCHEMBL27087494 0.68 HCAR2 (0.61) HCAR2HCAR3DAO
SCHEMBL26136942 0.66 KEAP1 (0.50) FABP3FABP4GABRA1GABRB1EIF4A3
SCHEMBL23808984 0.66 ALOX15 (0.58) ALOX15TSHR
SCHEMBL28111753 0.65 GABRA1 (0.35) FABP3FABP4CNR2GABRA1GABRB1
SCHEMBL28111741 0.65 SYK (0.36) FABP3FABP4CNR2GABRA1GABRB1

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-2009020603-A9 UPP AMPHIPHILIC ALPHA-HELIX MIMETICS SCRIPPS RESEARCH INST (US) 2009-05-07 WO disclosed
WO-2009020603-A2 UPP AMPHIPHILIC ALPHA-HELIX MIMETICS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-12 WO disclosed