SCHEMBL8306153

SCHEMBL8306153

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 7/20 0.42
PPARA Q07869 5/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL8301557 0.91 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8300941 0.90 NPC1 (0.42) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8302884 0.83 PPARG (0.62) PPARGPPARA
SCHEMBL8308030 0.82 ITGB3 (0.48) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8305544 0.78 PPARG (0.51) PPARGPPARA
SCHEMBL8307977 0.78 PPARG (0.51) PPARGPPARA
SCHEMBL8302608 0.77 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6952576 0.74 PPARG (0.45) PPARGPPARACYP2C19
SCHEMBL6952249 0.74 PPARG (0.39) POLBKMT2APPARGPPARACYP2C19
SCHEMBL8304776 0.74 NPC1 (0.45) NPC1RAB9APOLBMEN1KMT2A

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