SCHEMBL26501528

SCHEMBL26501528

C=C1CC(C)(C)C(=O)N(CCCCCCCCCCCC(=O)O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
PTGS2 P35354 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PKM P14618 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
DUSP3 P51452 1/20 0.34
MCL1 Q07820 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL26501524 1.00 PTGS1 (0.45) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL9823770 0.81 PTGS1 (0.47) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL26501687 0.79 PTGS1 (0.53) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL26501527 0.75 KDM4E (0.34) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL26501530 0.75 KDM4E (0.34) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL24410512 0.71 TSHR (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29126319 0.71 PTGS1 (0.44) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL9823744 0.70 MEN1 (0.49) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL6939675 0.69 ALDH1A1 (0.71) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL8890672 0.69 ALDH1A1 (0.71) PTGS1PTGS2SMN1; SMN2MEN1KMT2A

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
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed