SCHEMBL31681981

SCHEMBL31681981

CC(C)(C)OC(=O)CCCCCCCCCCCCCc1ccc(OCc2ccc(S(=O)(=O)Nc3ncc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)cn3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
HDAC8 Q9BY41 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 2/20 0.34
NR1H2 P55055 2/20 0.34

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
SCHEMBL31682008 0.95 SMN1; SMN2 (0.37) TDP1HDAC8SMN1; SMN2PKMHDAC3
SCHEMBL31682112 0.95 ALDH1A1 (0.37) TDP1SMN1; SMN2PKMHDAC1ALDH1A1
SCHEMBL31681973 0.95 ALDH1A1 (0.37) TDP1SMN1; SMN2PKMHDAC1ALDH1A1
SCHEMBL22029360 0.95 ALDH1A1 (0.37) TDP1SMN1; SMN2PKMHDAC1ALDH1A1
SCHEMBL31682106 0.93 HDAC8 (0.38) TDP1POLBHDAC8SMN1; SMN2PKM
SCHEMBL31682080 0.93 HDAC8 (0.38) TDP1POLBHDAC8SMN1; SMN2PKM
SCHEMBL24257857 0.92 TDP1 (0.44) TDP1POLBHDAC8SMN1; SMN2PKM
SCHEMBL22079977 0.92 TDP1 (0.44) TDP1POLBHDAC8SMN1; SMN2PKM
SCHEMBL22029342 0.92 SMN1; SMN2 (0.41) TDP1POLBHDAC8SMN1; SMN2PKM
SCHEMBL31682051 0.92 TDP1 (0.44) TDP1POLBHDAC8SMN1; SMN2PKM

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