SCHEMBL31344533

SCHEMBL31344533

C/C=C(\C)C(=O)NCCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
EGFR P00533 1/20 0.50
HDAC3 O15379 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIA1 P42261 1/20 0.45

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
SCHEMBL29179065 0.97 KMT2A (0.51) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL31344541 0.90 TAS1R3 (0.53) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL31344544 0.90 TAS1R3 (0.53) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL31344530 0.89 EGFR (0.48) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL29922796 0.87 TAS1R3 (0.54) KMT2AEGFRALDH1A1CYP1A2CYP3A4
SCHEMBL23196467 0.84 KMT2A (0.70) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL28735544 0.84 KMT2A (0.70) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL27129868 0.84 KMT2A (0.70) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL31344555 0.83 EGFR (0.71) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL31344535 0.82 KMT2A (0.53) KMT2AEGFRHDAC3HDAC4HDAC1

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