SCHEMBL3714302

SCHEMBL3714302

O=P(O)(O)Oc1c(O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.47
ERN1 O75460 1/20 0.44
INPPL1 O15357 2/20 0.44
INPP5A Q14642 2/20 0.44
INPP5B P32019 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
PAK1 Q13153 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SRC P12931 1/20 0.42
AKT1 P31749 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3714300 0.87 PTPN22 (0.48) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL5323009 0.81 INPPL1 (0.43) PTPN22INPPL1INPP5AINPP5BHSD17B10
SCHEMBL25269454 0.81 INPPL1 (0.43) INPPL1INPP5AINPP5BHSD17B10USP2
SCHEMBL25273082 0.81 CYP2A6 (0.46) INPPL1INPP5AINPP5BHSD17B10CYP1A2
SCHEMBL3715719 0.81 INPPL1 (0.43) INPPL1INPP5AINPP5BHSD17B10USP2
SCHEMBL25258755 0.81 INPPL1 (0.43) INPPL1INPP5AINPP5BPOLBHSD17B10
SCHEMBL3922365 0.80 PTPN22 (0.42) PTPN22INPPL1INPP5AINPP5BSRC
SCHEMBL27610136 0.79 GPR84 (0.65) ERN1INPPL1INPP5AINPP5BHSD17B10
SCHEMBL8385853 0.78 SRC (0.51) ERN1INPPL1INPP5AINPP5BPOLB
SCHEMBL17941514 0.78 WDR5 (0.54) INPPL1INPP5AINPP5BHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096260-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2010-08-26 WO disclosed
EP-0629395-B1 Keratinous fiber treatment compositions KAO CORP (JP) 1997-10-01 EP disclosed
EP-0629395-A1 Keratinous fiber treatment compositions Kao Corporation (JP) 1994-12-21 EP disclosed