SCHEMBL2223912

SCHEMBL2223912

CCc1ccc(C(CC(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 2/20 0.43
PDPK1 O15530 3/20 0.43
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
FDFT1 P37268 1/20 0.39
TSHR P16473 1/20 0.39

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 0.82 CYP2C9 (0.51) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL2226255 0.82 POLB (0.50) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL657192 0.81 PDPK1 (0.68) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL657310 0.81 CYP2C9 (0.73) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL2222589 0.79 POLB (0.53) CYP2C9CYP2C19ALDH1A1AKR1C3AKR1C2
SCHEMBL2226824 0.78 FFAR1 (0.51) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL2225839 0.78 L3MBTL1 (0.53) ALDH1A1KMT2AAKR1C3AKR1C2L3MBTL1
SCHEMBL2225817 0.78 POLB (0.51) CYP2C9CYP2C19ALDH1A1AKR1C3AKR1C2
SCHEMBL16527041 0.77 FFAR1 (0.57) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL11760750 0.77 ALDH1A1 (0.48) CYP2C9CYP2C19ALDH1A1MEN1KMT2A

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