SCHEMBL27484343

SCHEMBL27484343

Cc1cc(C)cc(OP(=O)(O)OP(=O)(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
INPPL1 O15357 4/20 0.46
INPP5A Q14642 3/20 0.46
SRC P12931 2/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
INPP5B P32019 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FDPS P14324 1/20 0.35
BLM P54132 1/20 0.35
BTN3A1 O00481 1/20 0.34
TP53 P04637 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
SCHEMBL11398356 0.87 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4TSHRMAPK1
Fluoride SCHEMBL31047199 0.85 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL7159151 0.83 INPPL1 (0.68) ALDH1A1TDP1CYP3A4TSHRMAPK1
Phosphoric Acid SCHEMBL27484344 0.81 INPPL1 (0.65) ALDH1A1TDP1CYP3A4TSHRMAPK1
Ammonia Solution, Strong SCHEMBL17670035 0.81 INPPL1 (0.65) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL4457864 0.80 TSHR (0.57) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL4179021 0.78 INPPL1 (0.48) TDP1INPPL1INPP5ASRCMEN1
SCHEMBL27637440 0.77 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL4103871 0.76 SRC (0.50) TDP1CYP3A4TSHRINPPL1INPP5A
SCHEMBL29023594 0.76 SRC (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1

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
CN-1197913-C Flame-retarded resin composition ASAHI CHEMICAL IND (JP) 2005-04-20 CN disclosed
CN-1412246-A Flame-retarded resin composition ASAHI CHEMICAL IND (JP) 2003-04-23 CN disclosed