SCHEMBL8304776

SCHEMBL8304776

CCOC(C)(Cc1ccc(OCCN2CCN(C)CCC2=O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
PDK2 Q15119 1/20 0.39
PPARD Q03181 3/20 0.38
LTA4H P09960 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8306718 0.89 NPC1 (0.41) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL7107216 0.80 TSHR (0.48) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL8302884 0.77 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5100515 0.75 MAPT (0.53) MEN1KMT2APPARGPPARAPOLB
SCHEMBL5100738 0.75 MAPT (0.45) KMT2APPARGPPARAMAPK1PDK2
SCHEMBL8308030 0.74 ITGB3 (0.48) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL8306153 0.74 NPC1 (0.46) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL8305544 0.74 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL8307977 0.74 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL8302608 0.71 NPC1 (0.43) 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