SCHEMBL6948070

SCHEMBL6948070

CCSC(Cc1ccc(OCC(C)N2CN(CC)c3ccc(C)cc3C2=O)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RCE1 Q9Y256 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX3 P56373 3/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL6950764 0.85 ITGB1 (0.36) TP53PPARGPPARAMAPT
SCHEMBL6948125 0.81 ALDH1A1 (0.35) TP53MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL6952423 0.78 PPARG (0.34) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL6945497 0.75 PPARG (0.36) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL6957295 0.70 PPARG (0.41) TP53PPARGPPARDPPARAMAPT
SCHEMBL6947127 0.69 ALDH1A1 (0.40) TP53PPARGPPARDPPARAMAPT
SCHEMBL6952379 0.68 PPARG (0.32) TP53PPARGPPARAACACB
SCHEMBL6951661 0.64 PPARA (0.41) PPARGPPARDPPARA
SCHEMBL6956393 0.63 PPARA (0.37) PPARGPPARAPOLBTDP1
SCHEMBL6952249 0.63 PPARG (0.39) PPARGPPARDPPARAPOLBCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed