SCHEMBL7925289

SCHEMBL7925289

Nc1ccccc1NC(=O)CCCCCC(=O)NCc1cccs1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.68
HDAC1 Q13547 17/20 0.66
HDAC3 O15379 16/20 0.66
HDAC2 Q92769 12/20 0.66
HDAC10 Q969S8 7/20 0.66
HDAC6 Q9UBN7 6/20 0.66
NCOR2 Q9Y618 6/20 0.66
HDAC4 P56524 6/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL3241853 0.85 USP2 (0.61) USP2HDAC1HDAC3HDAC2HDAC10
SCHEMBL7694996 0.82 USP2 (0.85) USP2POLBMAPTTSHR
SCHEMBL17009233 0.82 USP2 (0.85) USP2POLBMAPTTSHR
SCHEMBL8241153 0.81 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL17009271 0.80 USP2 (0.88) USP2POLBMAPTTSHR
SCHEMBL13438260 0.80 USP2 (0.93) USP2POLBMAPTTSHR
SCHEMBL1938006 0.79 HDAC3 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL1938490 0.78 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL9784530 0.78 USP2 (0.82) USP2POLBMAPTTSHR
SCHEMBL17009332 0.77 USP2 (0.82) USP2POLBMAPTTSHR

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
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed