SCHEMBL31344528

SCHEMBL31344528

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
FOLH1 Q04609 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC2 Q92769 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TGM2 P21980 1/20 0.33
CYP2C9 P11712 1/20 0.33
FAAH O00519 1/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31344554 0.89 KMT2A (0.40) SIRT1SIRT2FOLH1SIRT6TGM2
SCHEMBL31344545 0.83 CA1 (0.49) SIRT1SIRT2SIRT3FOLH1CA1
SCHEMBL31344553 0.81 RAB9A (0.51) FOLH1CA1CA2TAS1R3TAS1R1
SCHEMBL31344541 0.79 TAS1R3 (0.53) HDAC2TAS1R3TAS1R1CYP2C9ALDH1A1
SCHEMBL31344535 0.79 KMT2A (0.53) HDAC2TAS1R3TAS1R1ALDH1A1
SCHEMBL31344544 0.79 TAS1R3 (0.53) HDAC2TAS1R3TAS1R1CYP2C9ALDH1A1
SCHEMBL31344531 0.78 TAS1R3 (0.62) HDAC2TAS1R3TAS1R1GAAALDH1A1
SCHEMBL31344542 0.78 TAS1R3 (0.69) HDAC2TAS1R3TAS1R1GAAALDH1A1
SCHEMBL13057129 0.76 FOLH1 (0.51) SIRT1SIRT2SIRT3FOLH1CA1
SCHEMBL25548906 0.76 FOLH1 (0.51) SIRT1SIRT2SIRT3FOLH1CA1

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