SCHEMBL2099331

SCHEMBL2099331

C=CC(=O)NC(C)C.CC(C)(C)OC(=O)C=CC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
NR1H4 Q96RI1 2/20 0.43
MAOB P27338 5/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
Juarezic Acid SCHEMBL28970789 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5574375 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL17447202 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8104777 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8118316 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL680389 0.78 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3804989 0.78 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1506719 0.74 APP (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8
Styrene SCHEMBL7512351 0.74 TSHR (0.62) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1006098 0.73 GLA (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163816-B2 Production process of liquid composition, image forming process and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2012-04-24 US disclosed
US-20070283847-A1 PRODUCTION PROCESS OF LIQUID COMPOSITION, IMAGE FORMING PROCESS AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-12-13 US disclosed