SCHEMBL6270791

SCHEMBL6270791

CC(C)(C)c1c(CO)ccc(OP(=O)(O)O)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 11/20 0.43
INPP5A Q14642 6/20 0.43
AKT1 P31749 1/20 0.43
INPP5B P32019 2/20 0.38
SRC P12931 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BLM P54132 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL27826952 0.89 INPPL1 (0.44) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL19305102 0.87 INPPL1 (0.43) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL27826911 0.78 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL1821429 0.78 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL3287701 0.75 SRC (0.41) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL6260390 0.74 SRC (0.51) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL28379246 0.74 INPPL1 (0.43) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL3289172 0.74 INPPL1 (0.40) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL28891115 0.73 INPPL1 (0.48) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL9243111 0.72 INPPL1 (0.41) INPPL1INPP5AAKT1INPP5BSRC

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