SCHEMBL9569630

SCHEMBL9569630

CCC(C)OP(=O)(O)C=CCCCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 3/20 0.31
LPAR1 Q92633 2/20 0.31

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
SCHEMBL9569530 0.79 LPAR3 (0.32) LPAR3LPAR2LPAR1
SCHEMBL9569609 0.78 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569604 0.78 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569727 0.76
SCHEMBL9569627 0.76
SCHEMBL9569624 0.72 TSHR (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9569615 0.72 TSHR (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11342686 0.69 SMPD1 (0.32)
SCHEMBL10498122 0.69 ALDH1A1 (0.42) ALDH1A1TSHRLPAR3LPAR2LPAR1
SCHEMBL14777063 0.68 KDM4E (0.30) 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