SCHEMBL2878153

SCHEMBL2878153

CC(=O)c1ccc(C(C)C(=O)O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GRM1 Q13255 2/20 0.49
GRM2 Q14416 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
AKR1C3 P42330 10/20 0.47
AKR1C2 P52895 10/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 6/20 0.46
PTGS1 P23219 4/20 0.46
TSHR P16473 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46

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
SCHEMBL1679635 0.86 AKR1C3 (0.49) ALDH1A1HPGDKDM4EHSD17B10GRM1
SCHEMBL9345918 0.85 AKR1C3 (0.51) ALDH1A1HPGDKDM4EHSD17B10CYP2C9
SCHEMBL30953697 0.83 PLG (0.54) ALDH1A1HPGDKDM4EHSD17B10GRM1
SCHEMBL1261130 0.83 PLG (0.54) ALDH1A1HPGDKDM4EHSD17B10GRM1
SCHEMBL32660739 0.81 TDP1 (0.55) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL490579 0.81 TDP1 (0.55) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL27449783 0.80 HPGD (0.53) ALDH1A1HPGDKDM4EHSD17B10GRM1
SCHEMBL28183228 0.79 TDP1 (0.53) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL4066823 0.78 PTGS1 (0.62) CYP2C9MEN1KMT2AAKR1C3AKR1C2
SCHEMBL13898612 0.77 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10MEN1KMT2A

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-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed