SCHEMBL8302026

SCHEMBL8302026

CCN1CCC(=O)N(CCCc2ccc(CC(OC(C)C)C(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8307961 0.91 MEN1 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8303961 0.80 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8304487 0.78 PPARG (0.48) PPARGPPARA
SCHEMBL8301292 0.75 PPARG (0.37) PPARGPPARA
SCHEMBL8302764 0.74 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8306093 0.71 PPARG (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8306723 0.66 PARP1 (0.36) PPARGPPARA
SCHEMBL7108323 0.66 SLC7A5 (0.51) SLC6A2PPARGPPARA
SCHEMBL7108081 0.66 SLC7A5 (0.51) SLC6A2PPARGPPARA
SCHEMBL5607289 0.66 SLC7A5 (0.51) SLC6A2PPARGPPARA

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