SCHEMBL27635652

SCHEMBL27635652

CCOc1ccc(C(=O)O)cc1.O=C(O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.56
EPHX2 P34913 2/20 0.55
FAAH O00519 1/20 0.55
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
PARP10 Q53GL7 1/20 0.53
TSHR P16473 2/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
PLK1 P53350 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL9935310 0.89 KMT2A (0.61) PLA2G4BL3MBTL1MRGPRX4PARP10TSHR
SCHEMBL27635650 0.87 L3MBTL1 (0.56) PLA2G4BL3MBTL1MRGPRX4PARP10TP53
SCHEMBL219654 0.86 EPHX2 (0.68) MRGPRX4EPHX2FAAHRXRARXRB
SCHEMBL177390 0.86 PLA2G4B (0.82) PLA2G4BMRGPRX4RXRARXRBPARP10
Hydrochloric Acid SCHEMBL8086285 0.84 EPHX2 (0.66) MRGPRX4EPHX2FAAHRXRARXRB
SCHEMBL8972055 0.84 PLA2G4B (0.79) PLA2G4BMRGPRX4RXRARXRBPARP10
Methyl Alcohol SCHEMBL38654507 0.84 PLA2G4B (0.79) PLA2G4BMRGPRX4RXRARXRBPARP10
SCHEMBL28886147 0.84 PLA2G4B (0.79) PLA2G4BMRGPRX4RXRARXRBPARP10
Benzene SCHEMBL27667496 0.84 PLA2G4B (0.79) PLA2G4BMRGPRX4RXRARXRBPARP10
SCHEMBL2056242 0.84 L3MBTL1 (0.67) L3MBTL1PARP10TSHRALDH1A1RELA

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
CN-1724597-A Phase change inks XEROX CORP (US) 2006-01-25 CN disclosed