SCHEMBL2226255

SCHEMBL2226255

Cc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
FFAR1 O14842 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDPK1 O15530 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 1/20 0.45
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP26A1 O43174 1/20 0.40
STAT3 P40763 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2224081 0.85 CYP2C9 (0.51) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL30219798 0.84 POLB (0.49) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL11325699 0.83 FFAR1 (0.49) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL2223912 0.82 CYP2C9 (0.52) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7993738 0.81 FFAR1 (0.47) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL2276811 0.81 L3MBTL1 (0.66) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL2225839 0.81 L3MBTL1 (0.53) POLBFFAR1KMT2AALDH1A1L3MBTL1
SCHEMBL30219794 0.80 CYP2D6 (0.50) POLBFFAR1KMT2AMEN1CYP2D6
SCHEMBL10252711 0.80 PDPK1 (0.72) POLBKMT2AMEN1PDPK1ALDH1A1
SCHEMBL30219805 0.80 CYP2D6 (0.50) POLBFFAR1KMT2AMEN1CYP2D6

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-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO claimed