SCHEMBL11261735

SCHEMBL11261735

C=CCOC(=O)Nc1cccc(OC(=O)N(CCCC)c2ccccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HPGD P15428 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
CYP3A4 P08684 1/20 0.38
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11272522 0.94 GAA (0.43) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11262507 0.89 GAA (0.45) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11433969 0.88 GAA (0.44) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11265225 0.85 ALDH1A1 (0.44) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11258607 0.85 GAA (0.46) GAASMN1; SMN2NPC1CYP1A2LMNA
SCHEMBL11426647 0.85 GAA (0.45) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11432686 0.84 MAPK1 (0.46) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11267015 0.82 GAA (0.45) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11422887 0.81 MAPK1 (0.47) GAAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL11269610 0.80 GAA (0.44) GAARAB9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317674-A Diurethanes, process for making the same and selective herbicide composition containing same SCHERING AG (DE) 1982-03-02 US claimed