SCHEMBL6947127

SCHEMBL6947127

CCSC(Cc1ccc(OCCN2CN(c3ccccc3)c3ccc(C)cc3C2=O)cc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
RCE1 Q9Y256 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.35
PPARG P37231 12/20 0.35
PPARA Q07869 11/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARD Q03181 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL6956130 0.87 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6947132 0.84 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL6955136 0.81 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6948887 0.76 PPARG (0.41) MAPTPPARGPPARA
SCHEMBL8796710 0.75 FFAR1 (0.48) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6953968 0.75 PPARG (0.35) MAPTLMNAPOLBTDP1TP53
SCHEMBL6945497 0.74 PPARG (0.36) ALDH1A1POLBSMN1; SMN2PPARGPPARA
SCHEMBL6955247 0.74 MAPT (0.44) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL6956830 0.73 PPARG (0.34) ALDH1A1MAPTKMT2AMEN1PPARG
SCHEMBL8796714 0.73 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKMT2AL3MBTL1

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