SCHEMBL8161122

SCHEMBL8161122

CCS(=O)(=O)OC(C(Cl)(Cl)Cl)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 2/20 0.31
LAP3 P28838 1/20 0.30
FDPS P14324 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL8375454 1.00 LMNA (0.38) LMNACYP2C19LAP3FDPSCYP3A4
SCHEMBL8376451 1.00 LMNA (0.38) LMNACYP2C19LAP3FDPSCYP3A4
SCHEMBL8375428 0.80 ALDH1A1 (0.36) LMNACYP2C19
SCHEMBL8376426 0.80 ALDH1A1 (0.36) LMNACYP2C19
SCHEMBL8153842 0.80 ALDH1A1 (0.36) LMNACYP2C19
SCHEMBL8156685 0.69 LMNA (0.53) LMNACYP2C19LAP3FDPSCYP3A4
SCHEMBL8156120 0.69 LMNA (0.53) LMNACYP2C19LAP3FDPSCYP3A4
SCHEMBL8160583 0.69 LMNA (0.53) LMNACYP2C19LAP3FDPSCYP3A4
SCHEMBL8156116 0.65 LMNA (0.41) LMNACYP2C19
SCHEMBL8153378 0.65 LMNA (0.41) LMNACYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000510455-A 2000-08-15 JP claimed
EP-0896540-A1 USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION Troponwerke GmbH & Co. KG (DE) 1999-02-17 EP claimed
EP-0896540-A1 USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION Troponwerke GmbH & Co. KG (DE) 1999-02-17 EP disclosed