SCHEMBL2352401

SCHEMBL2352401

NC(=O)C=C(O)c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC4 P56524 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
EPHX1 P07099 1/20 0.50
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
ALDH1A1 P00352 1/20 0.46
GCGR P47871 3/20 0.45
ADCY6 O43306 2/20 0.45
ADCY3 O60266 2/20 0.45
ADCY9 O60503 2/20 0.45
ADCY5 O95622 2/20 0.45

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
SCHEMBL2352398 1.00 HDAC3 (0.51) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL8722102 0.81 HDAC3 (0.61) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL20869064 0.76 CRHBP (0.54) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL2357262 0.75 HDAC1 (0.60) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL2357257 0.75 HDAC1 (0.60) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL10869967 0.75 ALDH1A1 (0.60) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL7655294 0.73 NPY1R (0.65) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL7935110 0.73 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL9987472 0.73 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL29456754 0.71 EPHX1 (0.61) HDAC3HDAC1HDAC4HDAC8HDAC6

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
EP-2349245-A2 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS Istituto Superiore di Sanità (IT) 2011-08-03 EP disclosed
WO-2010049182-A2 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITÁ (IT) 2010-05-06 WO disclosed