SCHEMBL6648255

SCHEMBL6648255

CCc1cccc(COC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
BCL2 P10415 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL9677464 0.91 LMNA (0.48) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL26992213 0.86 FFAR1 (0.43) ALDH1A1LMNAPOLBMMP2MMP9
SCHEMBL6666574 0.85 ALDH1A1 (0.46) ALDH1A1BCL2TDP1MAPK1L3MBTL1
SCHEMBL1788330 0.85 ALDH1A1 (0.46) ALDH1A1BCL2TDP1MAPK1L3MBTL1
SCHEMBL28243228 0.84 ALDH1A1 (0.49) ALDH1A1BCL2TDP1MAPK1L3MBTL1
SCHEMBL20109593 0.84 ENPP2 (0.52) ALDH1A1LMNASMN1; SMN2LOXL2
SCHEMBL28330985 0.84 PRKCA (0.47) ALDH1A1PRKCAPRKCDTSHRLMNA
SCHEMBL1788331 0.84 ALDH1A1 (0.48) ALDH1A1BCL2TDP1MAPK1L3MBTL1
SCHEMBL16154053 0.84 ALDH1A1 (0.63) ALDH1A1BCL2TDP1MAPK1L3MBTL1
SCHEMBL13185143 0.83 ALDH1A1 (0.43) ALDH1A1BCL2TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2023017483-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 WO disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed