SCHEMBL14902895

SCHEMBL14902895

O=C(CC(=O)C(F)(F)F)c1cc2c(ccc3sccc32)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PLOD2 O00469 3/20 0.38
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 2/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL14902861 0.78 CTNNB1 (0.39) GAAALDH1A1PLOD2PLOD3PLOD1
SCHEMBL14902905 0.78 HDAC6 (0.36) PLOD2PLOD3PLOD1HDAC3HDAC4
SCHEMBL14902938 0.76 GPR35 (0.46) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL14902899 0.75 PLOD2 (0.35) PLOD2PLOD3PLOD1HDAC3HDAC4
SCHEMBL14902906 0.75 GPR35 (0.62) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL14896295 0.73 GPR35 (0.43) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL14902879 0.73 CLK1 (0.47) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1639689 0.71 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14497166 0.71 CYP1A2 (0.60) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL14902903 0.71 GAA (0.34) GAAALDH1A1HDAC3HDAC4HDAC1

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-2013060702-A1 PHOTOLUMINESCENT COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-05-02 WO disclosed