SCHEMBL8315903

SCHEMBL8315903

CC(C)(C)OC(=O)COc1ccc(C(=O)CNCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PTPN1 P18031 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G4B P0C869 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL7334309 0.82 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL247124 0.82 PTPN1 (0.51) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL2295843 0.80 BCHE (0.61) MEN1KMT2APLA2G4B
SCHEMBL948952 0.80 NPC1 (0.49) ALDH1A1NPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL10493771 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL4541517 0.78 NPC1 (0.47) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL1047069 0.76 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2PTPN1MEN1
SCHEMBL8315900 0.76 L3MBTL1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL2013045 0.76 SMN1; SMN2 (0.49) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL2448079 0.75 ALOX15 (0.57) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed