SCHEMBL8972067

SCHEMBL8972067

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.62
MTNR1B P49286 13/20 0.62
ACACB O00763 3/20 0.49
ACACA Q13085 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8971806 0.86 ACACB (0.46) MTNR1AMTNR1BACACBALDH1A1MAPT
SCHEMBL8978175 0.86 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1
SCHEMBL8971765 0.84 ALDH1A1 (0.54) MTNR1AMTNR1BACACBALDH1A1
SCHEMBL8972162 0.81 CTSK (0.45)
SCHEMBL27470015 0.81 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8971830 0.80 ELANE (0.55)
SCHEMBL17553246 0.80 ACACB (0.52) MTNR1AMTNR1BACACB
SCHEMBL666155 0.79 POLB (0.47) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL1870721 0.78 LMNA (0.50) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL3079292 0.76 ELANE (0.45) MTNR1AMTNR1BALDH1A1MAPT

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