SCHEMBL4453571

SCHEMBL4453571

CCC(CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.78
L3MBTL1 Q9Y468 1/20 0.58
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.51
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C1 Q04828 1/20 0.49
PTGS1 P23219 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL2226074 0.91 L3MBTL1 (0.68) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL13118253 0.89 FFAR1 (1.00) FFAR1POLB
SCHEMBL28628025 0.87 FFAR1 (0.59) FFAR1L3MBTL1KMT2AGAA
SCHEMBL10356759 0.87 FFAR1 (0.62) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL10200947 0.85 GABBR2 (0.64) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL12836590 0.85 FFAR1 (0.59) FFAR1L3MBTL1AKR1C3AKR1C2AKR1C1
SCHEMBL11023933 0.85 FFAR1 (0.60) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL28854188 0.84 FFAR1 (0.59) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL5340895 0.83 L3MBTL1 (0.59) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL12174632 0.83 L3MBTL1 (0.86) FFAR1L3MBTL1KMT2AATMPOLB

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
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed