SCHEMBL8300941

SCHEMBL8300941

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CACNA2D1 P54289 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8306153 0.90 NPC1 (0.46) NPC1RAB9APPARGPPARAPOLB
SCHEMBL8301557 0.89 NPC1 (0.43) NPC1RAB9AALDH1A1PPARGPPARD
SCHEMBL8308030 0.78 ITGB3 (0.48) NPC1RAB9AALDH1A1PPARGPPARA
SCHEMBL8307977 0.78 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL8302608 0.78 NPC1 (0.43) NPC1RAB9AALDH1A1PPARGPPARA
SCHEMBL8302884 0.77 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL8305544 0.77 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL6948887 0.71 PPARG (0.41) PPARGPPARAITGB3ITGA2B
SCHEMBL8304776 0.71 NPC1 (0.45) NPC1RAB9APPARGPPARDPPARA
SCHEMBL8306718 0.70 NPC1 (0.41) NPC1RAB9APPARGPPARAPOLB

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