SCHEMBL7948133

SCHEMBL7948133

C=Cc1ccc(S(=O)(=O)O)cc1.CCCCC(C=Cc1ccccc1)=C(C=CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.38
HDAC3 O15379 2/20 0.36
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL987787 0.85 HDAC3 (0.49) TDP1EGFRHDAC3TNKSHDAC4
SCHEMBL17065129 0.79 HDAC3 (0.50) TDP1EGFRHDAC3TNKSHDAC4
Styrene SCHEMBL7948135 0.79 TDP1 (0.50) TDP1EGFRHDAC3ALDH1A1GAA
SCHEMBL8524199 0.78 HDAC3 (0.51) TDP1EGFRHDAC3TNKSHDAC4
Styrene SCHEMBL16178706 0.77 LMNA (0.35) TDP1EGFRHDAC3TNKSHDAC4
Styrene SCHEMBL7948253 0.74 TDP1 (0.50) TDP1EGFRALDH1A1GAA
Maleic Acid SCHEMBL1463346 0.73 TDP1 (0.78) TDP1HDAC3TNKSHDAC4HDAC1
Fumaric Acid SCHEMBL1463348 0.73 TDP1 (0.78) TDP1HDAC3TNKSHDAC4HDAC1
SCHEMBL7619289 0.73 TUBB4A (0.49) TDP1EGFRHDAC3HDAC4HDAC1
SCHEMBL6635732 0.72 HDAC3 (0.55) TDP1EGFRHDAC3TNKSHDAC4

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
US-6190820-B1 Toner processes XEROX CORPORATION 2001-02-20 US disclosed