SCHEMBL14902899

SCHEMBL14902899

O=C(CC(=O)C(F)(F)F)c1cc2c(s1)c(C(F)(F)F)c(C(F)(F)F)c1sccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.35
PLOD3 O60568 2/20 0.35
PLOD1 Q02809 2/20 0.35
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL14902893 0.77 HDAC6 (0.39) FEN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL14902896 0.75 HDAC4 (0.38) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL14902895 0.75 GAA (0.38) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL14902905 0.75 HDAC6 (0.36) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL14902862 0.73 GPR35 (0.42)
SCHEMBL14902900 0.71
SCHEMBL1105089 0.68
SCHEMBL14902861 0.68 CTNNB1 (0.39) PLOD2PLOD3PLOD1HDAC3HDAC4
SCHEMBL195358 0.66 ERCC5 (0.59) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL11555244 0.65 ERCC5 (0.57) PLOD2PLOD3PLOD1ERCC5FEN1

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