SCHEMBL9569609

SCHEMBL9569609

CS(=O)(=O)OCCCC=CP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
LPAR3 Q9UBY5 4/20 0.39
LPAR2 Q9HBW0 3/20 0.34
LPAR1 Q92633 2/20 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
SCHEMBL9569604 1.00 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569428 0.89 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569427 0.89 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569624 0.79 TSHR (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569615 0.79 TSHR (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569630 0.78 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8071934 0.75 USP2 (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8071936 0.75 USP2 (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL22500788 0.73 LPAR3 (0.34) ALOX15LPAR3LPAR2LPAR1
SCHEMBL11006757 0.73 TSHR (0.56) 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