SCHEMBL31344529

SCHEMBL31344529

C/C=C(\C)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL31344530 0.92 EGFR (0.48) EGFRKMT2ALMNAALDH1A1HDAC3
SCHEMBL31344535 0.92 KMT2A (0.53) EGFRKMT2ALMNAALDH1A1HDAC3
SCHEMBL31344546 0.90 EGFR (0.60) EGFRKMT2ALMNAALDH1A1HDAC3
SCHEMBL31344534 0.89 TAS1R3 (0.57) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL31344540 0.89 TAS1R3 (0.57) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL31344541 0.84 TAS1R3 (0.53) EGFRKMT2ALMNAALDH1A1HDAC3
SCHEMBL31344544 0.84 TAS1R3 (0.53) EGFRKMT2ALMNAALDH1A1HDAC3
SCHEMBL31344543 0.83 NAAA (0.48) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL31344537 0.83 NAAA (0.48) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL29922796 0.81 TAS1R3 (0.54) EGFRKMT2ALMNAALDH1A1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716682-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-04-01 EP disclosed
WO-2024240579-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-11-28 WO disclosed