SCHEMBL8399433

SCHEMBL8399433

CCOc1c(C=O)cccc1-n1c(CC)nc(C)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.36
APLNR P35414 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BCAT2 O15382 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ELANE P08246 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
SCHEMBL8399558 0.92 ALDH1A1 (0.39) ALDH1A1GAAAPLNRBCAT2PKM
SCHEMBL8402601 0.90 ALDH1A1 (0.40) ALDH1A1GAAAPLNRSMN1; SMN2NPC1
SCHEMBL8403524 0.90 APLNR (0.45) ALDH1A1GAAAPLNRLMNAMAPT
SCHEMBL8399521 0.89 ALDH1A1 (0.42) ALDH1A1GAAAPLNRBCAT2PKM
SCHEMBL8399519 0.87 USP2 (0.37) ALDH1A1GAAAPLNRL3MBTL1SMN1; SMN2
SCHEMBL8401523 0.86 ALDH1A1 (0.40) ALDH1A1GAAAPLNRL3MBTL1SMN1; SMN2
SCHEMBL8399369 0.81 ALDH1A1 (0.38) ALDH1A1GAAAPLNRL3MBTL1LMNA
SCHEMBL8399362 0.80 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1SMN1; SMN2LMNA
SCHEMBL8403511 0.79 L3MBTL1 (0.58) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL1253501 0.68 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2LMNANPC1

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-5885997-A Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-23 US disclosed