SCHEMBL8308030

SCHEMBL8308030

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGA5 P08648 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 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
SCHEMBL8302608 0.91 NPC1 (0.43) ITGB3ITGA2BNPC1RAB9APOLB
SCHEMBL8302884 0.83 PPARG (0.62) PPARGPPARA
SCHEMBL8306153 0.82 NPC1 (0.46) ITGB3ITGA2BNPC1RAB9APOLB
SCHEMBL8300941 0.78 NPC1 (0.42) ITGB3ITGA2BNPC1RAB9APOLB
SCHEMBL8307977 0.78 PPARG (0.51) PPARGPPARA
SCHEMBL8305544 0.78 PPARG (0.51) PPARGPPARA
SCHEMBL8301557 0.77 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6954155 0.74 PPARG (0.43) ITGB3ITGA2BPPARGPPARAITGB1
SCHEMBL6952000 0.74 ITGB3 (0.41) ITGB3ITGA2BPPARGPPARAITGB1
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