SCHEMBL12831402

SCHEMBL12831402

C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCCCCC(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.61
▸ HDAC6 Q9UBN7 4/20 0.61
▸ LMNA P02545 6/20 0.59
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ KIF11 P52732 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL29630294 0.86 LMNA (0.61) LMNAMEN1KMT2AMAPTGAA
SCHEMBL12831409 0.85 TP53 (0.51) HDAC1HDAC6MAPTABCG2KIF11
SCHEMBL12831416 0.81 HDAC1 (0.58) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL18688577 0.80 ADRA2C (0.53) LMNAMEN1KMT2AMAPTGAA
SCHEMBL1491430 0.79 HDAC1 (0.54) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1877789 0.79 HDAC1 (0.54) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491428 0.79 HDAC1 (0.54) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491562 0.79 HDAC1 (0.54) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL14930036 0.79 HDAC1 (0.51) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL28465323 0.78 LMNA (0.57) LMNAMEN1KMT2AMAPTGAA

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-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
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