SCHEMBL31682004

SCHEMBL31682004

CC(C)(C)OC(=O)CCCCCCCc1ccc(CCOc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)cn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.40
HDAC3 O15379 11/20 0.40
HDAC4 P56524 11/20 0.40
HDAC7 Q8WUI4 11/20 0.40
HDAC2 Q92769 11/20 0.40
HDAC10 Q969S8 11/20 0.40
HDAC11 Q96DB2 11/20 0.40
HDAC8 Q9BY41 11/20 0.40
HDAC6 Q9UBN7 11/20 0.40
HDAC9 Q9UKV0 11/20 0.40
HDAC5 Q9UQL6 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
TBXA2R P21731 1/20 0.35
TBXAS1 P24557 1/20 0.35
CA2 P00918 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31682006 1.00 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682113 0.96 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682071 0.96 TBXA2R (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682094 0.96 TBXA2R (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682077 0.96 TBXA2R (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682123 0.96 TBXA2R (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682106 0.95 HDAC8 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682080 0.95 HDAC8 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682021 0.95 HDAC3 (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31682091 0.95 HDAC3 (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