SCHEMBL8971806

SCHEMBL8971806

COC(=O)NC(C)CC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
SLC1A3 P43003 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8972067 0.86 MTNR1A (0.62) ACACBMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8972162 0.85 CTSK (0.45)
SCHEMBL8978175 0.84 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL8971830 0.84 ELANE (0.55) NPC1RAB9A
SCHEMBL8971765 0.83 ALDH1A1 (0.54) ACACBMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL27470015 0.79 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL666155 0.78 POLB (0.47) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL28454790 0.77 ELANE (0.44) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL1870721 0.76 LMNA (0.50) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL11060563 0.76 CYP1A2 (0.58) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 US disclosed