SCHEMBL31681986

SCHEMBL31681986

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.43
HDAC3 O15379 12/20 0.43
HDAC4 P56524 12/20 0.43
HDAC7 Q8WUI4 12/20 0.43
HDAC2 Q92769 12/20 0.43
HDAC10 Q969S8 12/20 0.43
HDAC11 Q96DB2 12/20 0.43
HDAC8 Q9BY41 12/20 0.43
HDAC6 Q9UBN7 12/20 0.43
HDAC9 Q9UKV0 12/20 0.43
HDAC5 Q9UQL6 12/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31682081 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31681996 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682002 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682075 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682033 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682073 0.97 HDAC1 (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682113 0.97 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682004 0.94 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682006 0.94 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682071 0.92 TBXA2R (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2

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-3893934-B1 INSULIN CONJUGATES SANOFI SA (FR) 2025-09-10 EP disclosed