SCHEMBL28099136

SCHEMBL28099136

O=[PH](Oc1ccccc1)Oc1ccc(CC2CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CTSK P43235 1/20 0.40
GLA P06280 1/20 0.39
MGLL Q99685 2/20 0.38
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10187482 0.82 TDP1 (0.52) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL51254 0.75 SLC6A2 (0.50) TDP1GRM2TSHRMEN1KMT2A
SCHEMBL873444 0.75 SLC6A2 (0.50) TDP1GRM2TSHRMEN1KMT2A
SCHEMBL2186411 0.75 SLC6A2 (0.50) TDP1GRM2TSHRMEN1KMT2A
SCHEMBL13805761 0.75 LTA4H (0.43) TDP1MGLLTSHR
SCHEMBL9075857 0.74 ALDH1A1 (0.40) TDP1GLAALDH1A1TP53CYP3A4
SCHEMBL3372450 0.74 TDP1 (0.39) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1425747 0.74 TDP1 (0.39) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL6305833 0.74 TDP1 (0.39) TDP1ALDH1A1TP53CYP3A4TSHR
Methane SCHEMBL28820455 0.73 SLC6A2 (0.48) TDP1GRM2MEN1KMT2A

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-104558601-B A kind of phosphor-containing flame-proof type cyanate ester resin and preparation method thereof 西北工业大学 2016-10-05 CN claimed
CN-104558601-B A kind of phosphor-containing flame-proof type cyanate ester resin and preparation method thereof 西北工业大学 2016-10-05 CN disclosed