SCHEMBL8009012

SCHEMBL8009012

CNCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
PLA2G4B P0C869 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
EGFR P00533 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CASP1 P29466 1/20 0.46

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
Hydrochloric Acid SCHEMBL7330565 0.99 RAB9A (0.55) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL2294574 0.86 MAOB (0.65) RAB9ASMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL3493914 0.84 RAB9A (0.58) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL2008979 0.83 MAPK1 (0.56) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL2006466 0.83 MAPK1 (0.56) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL7334309 0.83 NPC1 (0.49) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL2013045 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL8013977 0.82 ALOX15 (0.61) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL8681578 0.80 ALDH1A1 (0.61) RAB9ASMN1; SMN2MAPK1NPC1MAPT
SCHEMBL14405820 0.79 GAA (0.59) RAB9ASMN1; SMN2MAPK1NPC1MAPT

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-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed