SCHEMBL8768398

SCHEMBL8768398

Nc1ccc(C(O)(CO)C(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.40
RAB9A P51151 3/20 0.38
KIF11 P52732 3/20 0.38
PRMT1 Q99873 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.36
PBRM1 Q86U86 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL36374 0.89 CES1 (0.48) CES1MEN1KMT2APTPN1MAPT
Methoxymethane SCHEMBL36098 0.83 CES1 (0.56) CES1MEN1LMNAKMT2AMAPT
Trifluoromethylbenzene SCHEMBL28170271 0.81 CES1 (0.50) CES1LMNAPTPN1RAB9ANPC1
SCHEMBL11057570 0.80 CES1 (0.45) CES1MEN1LMNAKMT2ARAB9A
Ether SCHEMBL5403863 0.79 CES1 (0.47) CES1MEN1LMNAKMT2AMAPT
Trifluoromethanesulfonic Acid SCHEMBL503620 0.78 CES1 (0.46) CES1LMNAPTPN1RAB9ASRC
SCHEMBL8329073 0.78 CES1 (0.46) CES1LMNAMAPTKDM4EHIF1A
SCHEMBL27612829 0.78 SMN1; SMN2 (0.50) CES1RAB9AMAPTSRCNPC1
SCHEMBL11789186 0.76 CES1 (0.50) CES1MEN1KMT2APTPN1MAPT
SCHEMBL3521742 0.76 CES1 (0.43) CES1MEN1LMNAKMT2ARAB9A

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
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed