SCHEMBL23714721

SCHEMBL23714721

CCC(C)C1CC(=O)N(CCCCCCC(=O)O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER4 P35408 7/20 0.38
PTGER3 P43115 6/20 0.38
PTGER2 P43116 5/20 0.38

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
SCHEMBL24854489 0.88 CYP19A1 (0.36) MEN1GAAKMT2A
SCHEMBL24950149 0.88 HDAC3 (0.37) GAA
SCHEMBL9943141 0.81 ALDH1A1 (0.34)
SCHEMBL26242999 0.80 ALDH1A1 (0.34)
SCHEMBL25918038 0.80 PAOX (0.38) MEN1GAAKMT2APTGER4PTGER3
SCHEMBL18287469 0.79 PTGER4 (0.47) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL19773605 0.79 ALDH1A1 (0.32)
SCHEMBL19287544 0.79 BRD4 (0.37)
SCHEMBL19522946 0.79 CYP19A1 (0.37) MEN1GAAKMT2APTGER4PTGER3
SCHEMBL20684234 0.79 FOLH1 (0.43) PTGS1PTGS2MEN1GAAKMT2A

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
EP-3858387-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS Seagen Inc. (US) 2021-08-04 EP disclosed