SCHEMBL26501530

SCHEMBL26501530

C=C(C)C(=O)OCC(O)COC(=O)CCCCCCCCCCCN1C(=O)C(=C)CC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
LPAR1 Q92633 10/20 0.33
LPAR4 Q99677 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
ENPP2 Q13822 3/20 0.33
LPAR6 P43657 2/20 0.33
TSHR P16473 1/20 0.31
DGKA P23743 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CES2 O00748 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL26501527 1.00 KDM4E (0.34) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL25644301 0.92 TSHR (0.33) TSHR
SCHEMBL26501701 0.87 KDM4E (0.37) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3410382 0.75 KDM4E (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3412831 0.75 KDM4E (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26501524 0.75 PTGS1 (0.45) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26501528 0.75 PTGS1 (0.45) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26501540 0.74 TSHR (0.36) TSHR
SCHEMBL4980929 0.74 TSHR (0.53) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26501549 0.74 HTR1A (0.33) LMNAMAPTALDH1A1

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