SCHEMBL8779178

SCHEMBL8779178

CC(C)COc1ccc(O)c(OC(=O)NC(=O)CN)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMPD1 P17405 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
BTK Q06187 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
USP2 O75604 2/20 0.31
HPGD P15428 2/20 0.31
GPR88 Q9GZN0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACACB O00763 5/20 0.31

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
SCHEMBL8779357 0.88 GPR88 (0.32) GPR88
SCHEMBL8779185 0.88 ACACB (0.37) GAAHTTRAB9AHPGDHSD17B10
SCHEMBL8779424 0.86 MAPK8 (0.37) MAPK8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8779219 0.85 ACACB (0.34) USP2HPGDKDM4EHSD17B10ACACB
SCHEMBL8779132 0.84 ACACB (0.34) PRKD3MAPK8MAPTHTTHSD17B10
SCHEMBL8779023 0.83 KDM4E (0.36) MAPTSMN1; SMN2SMPD1KDM4ECA2
SCHEMBL8779296 0.82 MEN1 (0.33) HPGDACACBALDH1A1
SCHEMBL8779309 0.81 L3MBTL1 (0.39) MAPTL3MBTL1ALDH1A1POLB
SCHEMBL8881891 0.81 MAPT (0.36) MAPTNPC1TP53GAAHTT
SCHEMBL8779211 0.80 MEN1 (0.40) MAPTNPC1RAB9ASMN1; SMN2HPGD

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed