SCHEMBL6272824

SCHEMBL6272824

CC(C)(C)c1ccc(OP(=O)(O)O)c(C=O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.41
INPPL1 O15357 10/20 0.41
INPP5A Q14642 5/20 0.41
AKT1 P31749 1/20 0.41
INPP5B P32019 2/20 0.36
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ERN1 O75460 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL1821429 0.82 INPPL1 (0.47) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL6260390 0.75 SRC (0.51) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL1548297 0.74 INPPL1 (0.52) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL27698173 0.74 KDM4E (0.40) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL9243111 0.73 INPPL1 (0.41) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL8384709 0.71 SRC (0.63) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL27826911 0.69 INPPL1 (0.47) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL5080249 0.69 INPPL1 (0.37) INPPL1INPP5AAKT1INPP5B
SCHEMBL20696119 0.69 INPPL1 (0.45) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL284461 0.68 INPPL1 (0.52) SRCINPPL1INPP5AAKT1INPP5B

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
WO-2005063777-A1 BENZYLPHOSPHATE AND SUBSTITUTED BENZYLPHOSPHATE PRODRUGS FOR THE TREATMENT OF PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-07-14 WO disclosed