SCHEMBL2225839

SCHEMBL2225839

COc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
FFAR1 O14842 6/20 0.52
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
LDHA P00338 1/20 0.49
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 1/20 0.48
PTGS1 P23219 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL30219844 0.85 FFAR1 (0.51) L3MBTL1FFAR1KMT2AATMALDH1A1
SCHEMBL2138586 0.84 L3MBTL1 (0.71) L3MBTL1KMT2AALDH1A1POLBTDP1
SCHEMBL2222589 0.84 POLB (0.53) L3MBTL1FFAR1ALDH1A1AKR1C3AKR1C2
SCHEMBL2223462 0.84 KMT2A (0.53) L3MBTL1KMT2AALDH1A1POLBTDP1
SCHEMBL7891728 0.83 L3MBTL1 (0.68) L3MBTL1FFAR1KMT2AATMALDH1A1
SCHEMBL2225817 0.83 POLB (0.51) L3MBTL1FFAR1ALDH1A1AKR1C3AKR1C2
SCHEMBL30219799 0.81 L3MBTL1 (0.55) L3MBTL1FFAR1KMT2AATMALDH1A1
SCHEMBL30219801 0.81 L3MBTL1 (0.55) L3MBTL1FFAR1KMT2AATMALDH1A1
SCHEMBL2140616 0.81 PDPK1 (0.67) L3MBTL1KMT2AALDH1A1POLBTDP1
SCHEMBL2354429 0.81 POLB (0.61) L3MBTL1POLBTDP1

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