SCHEMBL10889136

SCHEMBL10889136

CCC(C)(CC)OP(=O)(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LAP3 P28838 2/20 0.31
SMPD1 P17405 1/20 0.31
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL433467 0.75 SMPD1 (0.43) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5848596 0.74 MEN1 (0.41) CYP1A2CYP2D6CYP2C19
SCHEMBL2710380 0.72 HMGCR (0.38) CYP2D6CYP2C19SMPD1LPAR3LPAR1
SCHEMBL1923665 0.71 SMPD1 (0.46) SMPD1LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL11537484 0.70 LPAR3 (0.35) SMPD1LPAR3LPAR1LPAR2
SCHEMBL15338706 0.70 LMNA (0.36) SMPD1LPAR3LPAR1LPAR2
SCHEMBL31116893 0.70 SMPD1 (0.40) SMPD1LPAR3LPAR1LPAR2
SCHEMBL2473447 0.69 ALDH1A1 (0.39) SMPD1LPAR3LPAR1LPAR2
SCHEMBL4486615 0.69
SCHEMBL15966669 0.68 FDPS (0.44) SMPD1LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4591583-A TREATING VIRAL INFECTIONS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1986-05-27 US disclosed
US-4386081-A VIRICIDE ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1983-05-31 US disclosed
EP-0003007-B1 ALIPHATIC DERIVATIVES OF PHOSPHONOFORMIC ACID, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR COMBATING VIRUS INFECTIONS Astra Läkemedel Aktiebolag (SE) 1982-04-07 EP disclosed
EP-0003007-A2 Aliphatic derivatives of phosphonoformic acid, pharmaceutical compositions and methods for combating virus infections Astra Läkemedel Aktiebolag (SE) 1979-07-11 EP disclosed