SCHEMBL8675408

SCHEMBL8675408

COCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
ACE P12821 1/20 0.54
KLK5 Q9Y337 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 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
SCHEMBL9575948 0.86 HDAC1 (0.60) HDAC1HDAC6POLBHDAC3HDAC4
SCHEMBL4941724 0.86 ACE (0.58) HDAC1HDAC6ACEKLK5POLB
SCHEMBL8467166 0.86 FAAH (0.62) HDAC1HDAC6ACEHDAC3HDAC4
SCHEMBL9218164 0.86 FAAH (0.62) HDAC1HDAC6ACEHDAC3HDAC4
SCHEMBL8466442 0.86 FAAH (0.62) HDAC1HDAC6ACEHDAC3HDAC4
SCHEMBL30291800 0.83 ACE (0.60) ACEKLK5POLBMAPTTDP1
SCHEMBL15706369 0.83 ACE (0.63) ACEKLK5POLBMAPTTDP1
SCHEMBL19567138 0.83 ACE (0.63) ACEKLK5POLBMAPTTDP1
SCHEMBL30887591 0.83 ACE (0.60) ACEKLK5POLBMAPTTDP1
SCHEMBL19567162 0.82 ACE (0.59) ACEKLK5POLBMAPTTDP1

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-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed