SCHEMBL2354429

SCHEMBL2354429

CCCCOc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 2/20 0.50
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL2222589 0.88 POLB (0.53) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL2225817 0.87 POLB (0.51) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL31437694 0.85 POLB (0.85) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL2225839 0.81 L3MBTL1 (0.53) POLBTDP1L3MBTL1
SCHEMBL9474072 0.80 MMP9 (0.70) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL2948148 0.79 FFAR1 (0.68) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL2223462 0.79 KMT2A (0.53) POLBTDP1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL9000558 0.78 POLB (0.57) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL6325271 0.78 LMNA (0.68) POLBTDP1L3MBTL1MMP9MMP8
SCHEMBL2941508 0.77 MMP9 (0.65) POLBTDP1L3MBTL1MMP9MMP8

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 2 patents. 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
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO disclosed