SCHEMBL9569427

SCHEMBL9569427

CS(=O)(=O)OCC/C=C/P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
LPAR3 Q9UBY5 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
SCHEMBL9569428 1.00 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569609 0.89 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569604 0.89 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20236040 0.79 USP2 (0.57) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20236042 0.79 USP2 (0.57) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL31681954 0.79 USP2 (0.57) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10766980 0.73 USP2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL27942471 0.73 USP2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3111115 0.72 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3111112 0.72 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9

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-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed