SCHEMBL6832733

SCHEMBL6832733

CC(C)(C)CC(C)(C)c1cccc(OP(=O)(O)O)c1C(C)(C)CC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 8/20 0.45
INPP5A Q14642 4/20 0.45
INPP5B P32019 2/20 0.45
SRC P12931 5/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE3A Q14432 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKT1 P31749 1/20 0.36
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL1354464 0.86 INPPL1 (0.44) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL2891600 0.84 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL2975172 0.79 SHBG (0.33)
SCHEMBL7648066 0.79 ATM (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7648071 0.78 ATM (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL10416507 0.77 GPR84 (0.40) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL1548297 0.76 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL28560093 0.76 SHBG (0.33)
Phosphoric Acid SCHEMBL27232946 0.75 POLB (0.37) KDM4EALDH1A1
SCHEMBL8473039 0.73 POLB (0.33) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122475-A1 Electrochemical neuron systems MYRICK ANDREW J (US) 2004-06-24 US disclosed
US-4431508-A Solid state graphite electrode NUESTRO MEDICAL CORPORATION 1984-02-14 US disclosed