SCHEMBL11111802

SCHEMBL11111802

O=P(O)(O)C(OP(=O)(O)C(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL3244386 0.77 LMNA (0.56) CYP2C19LMNAKDM4ETSHRTDP1
SCHEMBL3860656 0.67 LMNA (0.47) CYP2C19LMNAKDM4ETSHRTDP1
SCHEMBL11411465 0.66 LMNA (0.50) CYP2C19LMNAKDM4ETSHRTDP1
SCHEMBL8153378 0.64 LMNA (0.41) CYP2C19LMNATSHRTDP1
SCHEMBL8153450 0.64 LMNA (0.41) CYP2C19LMNATSHRTDP1
SCHEMBL8156116 0.64 LMNA (0.41) CYP2C19LMNATSHRTDP1
SCHEMBL8160310 0.62 LMNA (0.46) CYP2C19LMNAKDM4ETSHRTDP1
SCHEMBL8153842 0.62 ALDH1A1 (0.36) CYP2C19LMNA
SCHEMBL8376426 0.62 ALDH1A1 (0.36) CYP2C19LMNA
SCHEMBL8375428 0.62 ALDH1A1 (0.36) CYP2C19LMNA

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-0107132-A1 Process for preparing 1-hydroxy-alkane-1-phosphonic acids HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 EP disclosed