SCHEMBL7521132

SCHEMBL7521132

C=C(CCCSc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KDM4E B2RXH2 7/20 0.54
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48

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
SCHEMBL7518075 0.90 KDM4E (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1145416 0.85 ALDH1A1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL414617 0.83 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17556017 0.83 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17556077 0.80 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL660739 0.80 PKM (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17556050 0.79 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17556051 0.79 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17555999 0.79 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17556027 0.79 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed