SCHEMBL31344546

SCHEMBL31344546

CCOC(=O)[C@H](CCCCNC(=O)C=Cc1ccccc1)NC(=O)C=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL31344532 0.91 KMT2A (0.60) EGFRKMT2AALDH1A1HDAC3HDAC4
SCHEMBL31344529 0.90 EGFR (0.54) EGFRKMT2AALDH1A1HDAC3HDAC4
SCHEMBL31344530 0.90 EGFR (0.48) EGFRKMT2AALDH1A1HDAC3HDAC4
SCHEMBL25497370 0.83 L3MBTL1 (0.55) EGFRKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL31389130 0.83 L3MBTL1 (0.55) EGFRKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL25497364 0.81 ALDH1A1 (0.52) EGFRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL31389139 0.81 ALDH1A1 (0.52) EGFRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL31344544 0.81 TAS1R3 (0.53) EGFRKMT2AALDH1A1HDAC3HDAC4
SCHEMBL31344535 0.81 KMT2A (0.53) EGFRKMT2AALDH1A1HDAC3HDAC4
SCHEMBL31344541 0.81 TAS1R3 (0.53) EGFRKMT2AALDH1A1HDAC3HDAC4

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