SCHEMBL7199606

SCHEMBL7199606

C=CC(=O)OC(C)c1cccc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.40
FABP3 P05413 3/20 0.40
FABP5 Q01469 3/20 0.40
HNF4A P41235 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.35
PIM1 P11309 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MYC P01106 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ALOX15 P16050 1/20 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
SCHEMBL8549851 0.86 HCAR2 (0.43) HCAR2ALDH1A1MAPTLMNAKDM4E
SCHEMBL8548923 0.83 ALDH1A1 (0.44) HNF4AHCAR2ALDH1A1MAPTLMNA
SCHEMBL1564579 0.83 HCAR2 (0.38) HCAR2ALDH1A1MAPTKDM4ETDP1
SCHEMBL6278590 0.81 HCAR2 (0.39) HCAR2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6283576 0.79 ACMSD (0.44) HNF4AHCAR2PDCD1CD274
SCHEMBL26653846 0.77 BCL2 (0.41) HCAR2ALDH1A1MAPTKDM4EHPGD
SCHEMBL28875675 0.76 BCL2 (0.45) HCAR2ALDH1A1MAPTLMNAKDM4E
SCHEMBL6281239 0.76 KMO (0.43) FABP4FABP3FABP5LMNA
Carbamic Acid SCHEMBL23045128 0.76 HCAR2 (0.39) HCAR2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7199741 0.76 NPC1 (0.43) HCAR2ALDH1A1MAPTL3MBTL1LMNA

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-2003010566-A2 PLASTIC LENS MATERIAL, PLASTIC LENS COMPOSITION, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed