SCHEMBL23903262

SCHEMBL23903262

C=C(C)C(=O)NCC(CNC(=O)CC)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 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
SCHEMBL804973 0.79 TGFBR1 (0.33) TGFBR1
SCHEMBL445242 0.78 FDPS (0.36)
SCHEMBL13451160 0.77 MEN1 (0.30) MEN1KMT2A
SCHEMBL21281464 0.75 TGFBR1 (0.35) TGFBR1
SCHEMBL14652325 0.71 TGFBR1 (0.36) TGFBR1
Hydrochloric Acid SCHEMBL714696 0.70 TGFBR1 (0.32) TGFBR1
Ammonia Solution, Strong SCHEMBL714695 0.69 TGFBR1 (0.31) TGFBR1
SCHEMBL20232719 0.69 MEN1 (0.43) MEN1KMT2A
SCHEMBL12286106 0.68 TGFBR1 (0.35) TGFBR1
SCHEMBL13451161 0.68 MEN1 (0.32) MEN1KMT2A

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-2021198430-A1 BIPOLAR MEMBRANE FUJIFILM MANUFACTURING EUROPE BV (NL) 2021-10-07 WO disclosed