SCHEMBL6947495

SCHEMBL6947495

CCOC(Cc1ccc(CCCn2c(=O)sc3ccccc3c2=O)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 7/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6954944 0.91 PPARA (0.50) PPARAL3MBTL1TDP1SMN1; SMN2PPARG
SCHEMBL6950311 0.87 PPARA (0.60) PPARAL3MBTL1TDP1SMN1; SMN2PPARG
SCHEMBL6950369 0.78 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL6949208 0.77 PPARA (0.56) PPARAL3MBTL1TDP1SMN1; SMN2PPARG
SCHEMBL6953863 0.75 KMT2A (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6953729 0.74 HTR1A (0.40) PPARAPPARGPPARDALDH1A1POLB
SCHEMBL7532542 0.72 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL7852911 0.72 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL7535616 0.72 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6945353 0.71 TNF (0.51) ALDH1A1

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