SCHEMBL31490910

SCHEMBL31490910

C=CCOC(=O)[C@H](CCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ MDM2 Q00987 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
SCHEMBL29775586 1.00 KMT2A (0.50) KMT2AMDM4TP53TLR2CASP3
SCHEMBL30819043 0.94 TLR2 (0.50) KMT2AMDM4TP53TLR2CASP3
SCHEMBL31004028 0.93 TLR2 (0.53) KMT2AMDM4TP53TLR2CASP3
SCHEMBL29398713 0.93 TLR2 (0.53) KMT2AMDM4TP53TLR2CASP3
SCHEMBL12221104 0.93 TLR2 (0.53) KMT2AMDM4TP53TLR2CASP3
SCHEMBL12221123 0.93 TLR2 (0.53) KMT2AMDM4TP53TLR2CASP3
Hydrochloric Acid SCHEMBL25358748 0.92 TLR2 (0.54) KMT2AMDM4TP53TLR2CASP3
Hydrochloric Acid SCHEMBL30003033 0.92 TLR2 (0.54) KMT2AMDM4TP53TLR2CASP3
Hydrochloric Acid SCHEMBL25358745 0.92 TLR2 (0.54) KMT2AMDM4TP53TLR2CASP3
Hydrochloric Acid SCHEMBL29217894 0.92 TLR2 (0.54) KMT2AMDM4TP53TLR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025074281-A1 OLEFINIC QUATERNARY AMMONIUM COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2025-04-10 — — WO disclosed
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