SCHEMBL28048537

SCHEMBL28048537

O=C(O)CC(C(=O)O)c1ccc2oc(C(CC(=O)O)C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK9 P45984 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
F7 P08709 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27950089 0.79 L3MBTL1 (0.54) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL28456605 0.78 L3MBTL1 (0.53) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL27527931 0.75 KDM4E (0.49) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL11137284 0.74 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL10717750 0.71 MEN1 (0.54) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL9198993 0.71 GABBR2 (0.44) GAAMEN1KMT2ACYP1A2TSHR
SCHEMBL377175 0.70 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL377609 0.70 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL146867 0.70 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL29903902 0.70 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1

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
CN-103450125-B A kind of 5-replaces the synthetic method of benzofuran-2-carboxylic acid and derivative thereof CHIMICA LABORATORIES CO., LTD. (CN) 2016-01-13 CN disclosed