SCHEMBL31344530

SCHEMBL31344530

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL31344529 0.92 EGFR (0.54) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344541 0.92 TAS1R3 (0.53) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344544 0.92 TAS1R3 (0.53) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344546 0.90 EGFR (0.60) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344551 0.89 TAS1R3 (0.62) TAS1R3TAS1R1KMT2ALMNAHDAC3
SCHEMBL29922796 0.89 TAS1R3 (0.54) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344533 0.89 KMT2A (0.50) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL29179065 0.85 KMT2A (0.51) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344535 0.84 KMT2A (0.53) EGFRTAS1R3TAS1R1KMT2ALMNA
SCHEMBL31344542 0.82 TAS1R3 (0.69) TAS1R3TAS1R1KMT2ALMNAHDAC3

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