SCHEMBL23567985

SCHEMBL23567985

CCCCOC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TLR2 O60603 7/20 0.48
TLR1 Q15399 1/20 0.48
EPHX2 P34913 1/20 0.46
OPRD1 P41143 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
SCHEMBL14583141 0.90 KMT2A (0.55) KMT2ATLR2TLR1EPHX2
SCHEMBL14490950 0.87 KMT2A (0.55) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL29470973 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1
SCHEMBL12391727 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1
SCHEMBL19574725 0.84 KMT2A (0.50) KMT2ATLR2EPHX2
SCHEMBL18543046 0.84 KMT2A (0.48) KMT2ATLR2TLR1
SCHEMBL8236471 0.83 KMT2A (0.70) KMT2AEPHX2
SCHEMBL30174112 0.83 KMT2A (0.59) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL31303620 0.83 TLR2 (0.50) TLR2
SCHEMBL20665019 0.82 KMT2A (0.54) KMT2ATLR2TLR1EPHX2

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-2021127461-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XW LABORATORIES LIMITED (CN) 2021-06-24 WO disclosed