SCHEMBL8301557

SCHEMBL8301557

CCSC(Cc1ccc(OCCN2CCN(C)CCC2=O)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 3/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CACNA2D1 P54289 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL8306153 0.91 NPC1 (0.46) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8300941 0.89 NPC1 (0.42) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8305544 0.83 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL8302608 0.82 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6948887 0.81 PPARG (0.41) PPARGPPARA
SCHEMBL8302884 0.78 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL8308030 0.77 ITGB3 (0.48) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8307977 0.77 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL6953968 0.75 PPARG (0.35) RAB9APOLBPPARGPPARDPPARA
SCHEMBL6948411 0.73 PPARG (0.38) NPC1RAB9AMEN1KMT2APPARG

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-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed