SCHEMBL2225817

SCHEMBL2225817

CCOc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1.[Na].[Na].[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
PARP10 Q53GL7 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLA2G4B P0C869 1/20 0.45
FFAR1 O14842 2/20 0.45
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL2222589 0.98 POLB (0.53) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL2354429 0.87 POLB (0.61) POLBTDP1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL2225839 0.83 L3MBTL1 (0.53) POLBTDP1L3MBTL1ALDH1A1AKR1C3
SCHEMBL2223462 0.80 KMT2A (0.53) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL2275392 0.79 FFAR1 (0.58) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL2223912 0.78 CYP2C9 (0.52) TDP1L3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL2224081 0.77 CYP2C9 (0.51) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL2226255 0.77 POLB (0.50) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL5720965 0.76 ALDH1A1 (0.51) POLBTDP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL13264702 0.76 FFAR1 (0.71) POLBTDP1L3MBTL1ALDH1A1CYP2C9

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 disclosed