SCHEMBL8600593

SCHEMBL8600593

CC(C)(C)OC(=O)Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
CUL4A Q13619 2/20 0.32
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
BRD4 O60885 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL8370837 0.86 NPC1 (0.37) POLBAPEX1NPC1GAACUL4A
SCHEMBL8084592 0.83 CUL4A (0.46) POLBAPEX1NPC1GAACUL4A
SCHEMBL17466053 0.80 KDM4E (0.42) POLBAPEX1NPC1GAAMAPT
SCHEMBL8604258 0.79 CUL4A (0.49) NPC1GAACUL4AMAPTRAB9A
SCHEMBL8602332 0.79 RORC (0.35) NPC1GAACUL4AMAPTRAB9A
SCHEMBL1984953 0.79 ELANE (0.43) ELANEGAACUL4ACA2CA12
SCHEMBL30739992 0.79 ELANE (0.43) ELANEGAACUL4ACA2CA12
SCHEMBL8598548 0.79 LMNA (0.46) POLBMTNR1AMTNR1BNPC1MAPT
SCHEMBL8601381 0.78 PPOX (0.40) POLBAPEX1NPC1GAAAPP
SCHEMBL27298534 0.78 NPC1 (0.36) POLBAPEX1NPC1GAAMAPT

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-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed