SCHEMBL27799416

SCHEMBL27799416

COc1cc(OC)cc(OP(=O)(O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.76
INPP5A Q14642 4/20 0.76
ALDH1A1 P00352 2/20 0.52
SRC P12931 2/20 0.48
INPP5B P32019 1/20 0.48
BLM P54132 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4186085 0.87 INPPL1 (1.00) INPPL1INPP5AALDH1A1SRCINPP5B
SCHEMBL28439575 0.83 INPPL1 (0.58) INPPL1INPP5AALDH1A1SRCGAA
SCHEMBL25702142 0.81 INPPL1 (0.76) INPPL1INPP5AALDH1A1SRCINPP5B
SCHEMBL21443850 0.81 INPPL1 (0.76) INPPL1INPP5AALDH1A1SRCINPP5B
SCHEMBL3219196 0.81 SRC (0.60) INPPL1INPP5ASRCBLMCA1
Hydrochloric Acid SCHEMBL28893937 0.79 SRC (0.58) INPPL1INPP5AALDH1A1SRCBLM
SCHEMBL6749290 0.79 INPPL1 (0.62) INPPL1INPP5ASRCINPP5BCYP3A4
SCHEMBL4736118 0.78 CYP1A1 (0.66) CYP1A1CYP1B1GAAMEN1NPC1
SCHEMBL4734848 0.78 CYP1A1 (0.66) CYP1A1CYP1B1GAAMEN1NPC1
SCHEMBL7159151 0.76 INPPL1 (0.68) INPPL1INPP5AALDH1A1SRCINPP5B

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
CN-101691384-A Phosphate-containing toluylene compound, preparation method thereof and use thereof SHENZHEN NEPTUNUS PHARMACEUTIC 2010-04-07 CN disclosed