SCHEMBL8891036

SCHEMBL8891036

O=[C]CCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
NAAA Q02083 1/20 0.59
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NAMPT P43490 2/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6682073 0.94 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL8811886 0.94 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9123165 0.94 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9124741 0.94 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL403360 0.83 HDAC3 (0.49) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9188890 0.82 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL7460068 0.82 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9489804 0.82 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL20734829 0.82 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9492235 0.82 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3

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-5597803-A POLYPEPTIDES FOR ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-28 US claimed