SCHEMBL2223462

SCHEMBL2223462

CC(C)Oc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
PARP10 Q53GL7 1/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6576878 0.87 KMT2A (0.59) KMT2ASMN1; SMN2PARP10MEN1ALDH1A1
SCHEMBL2225839 0.84 L3MBTL1 (0.53) KMT2AALDH1A1POLBTDP1L3MBTL1
SCHEMBL31483432 0.84 L3MBTL1 (0.64) KMT2ASMN1; SMN2PARP10ALDH1A1NPSR1
SCHEMBL2224081 0.82 CYP2C9 (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL2222589 0.81 POLB (0.53) SMN1; SMN2PARP10ALDH1A1NPSR1CNR2
SCHEMBL2225817 0.80 POLB (0.51) SMN1; SMN2PARP10ALDH1A1NPSR1CNR2
SCHEMBL2354429 0.79 POLB (0.61) SMN1; SMN2POLBTDP1L3MBTL1CYP2C19
SCHEMBL2226255 0.78 POLB (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL2223912 0.76 CYP2C9 (0.52) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL11002192 0.74 KMT2A (0.60) KMT2APARP10MEN1ALDH1A1NPSR1

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