SCHEMBL8301593

SCHEMBL8301593

CCOC(Cc1ccc(OCCN2CCN(c3ccccc3)CCC2=O)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.51
PPARA Q07869 14/20 0.50
PPARD Q03181 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8300947 0.93 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL8305544 0.87 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL8302884 0.80 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL6948643 0.78 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL8307977 0.78 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL7040474 0.77 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5107710 0.75 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL5108315 0.75 LMNA (0.53) PPARGPPARAPPARD
SCHEMBL6956130 0.74 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL8302764 0.74 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2A

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