SCHEMBL11255256

SCHEMBL11255256

O=C(Cc1ccccc1)NCCNCC(O)COc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.52
HDAC4 P56524 10/20 0.52
HDAC1 Q13547 10/20 0.52
HDAC7 Q8WUI4 10/20 0.52
HDAC2 Q92769 10/20 0.52
HDAC10 Q969S8 10/20 0.52
HDAC11 Q96DB2 10/20 0.52
HDAC8 Q9BY41 10/20 0.52
HDAC6 Q9UBN7 10/20 0.52
HDAC9 Q9UKV0 10/20 0.52
HDAC5 Q9UQL6 10/20 0.52
ADRB1 P08588 2/20 0.48
ADRB3 P13945 1/20 0.48
MMP2 P08253 2/20 0.46
MMP13 P45452 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 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
SCHEMBL11258032 0.85 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11253350 0.83 ADRB2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11262467 0.82 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11572413 0.81 ADRB1 (0.60) ADRB1ADRB3
SCHEMBL11257434 0.79 ATP4A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11252882 0.79 ATP4A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11281283 0.78 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11170530 0.76 ADRB1 (0.66) ADRB1ADRB3LMNANFKB1
SCHEMBL11248636 0.76 ADRB2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11572635 0.76 ADRB3 (0.61) ADRB1ADRB3NPC1

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-4338330-A HYPOTENSIVE AGENTS CONTINENTAL PHARMA (BE) 1982-07-06 US disclosed