SCHEMBL6956237

SCHEMBL6956237

CCSC(Cc1ccc(OCCn2c(=O)sc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
PPARD Q03181 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6952339 0.92 L3MBTL1 (0.46) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6955761 0.90 L3MBTL1 (0.45) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6950369 0.84 PPARA (0.69) PPARGPPARAPPARD
SCHEMBL6952264 0.83 PPARG (0.48) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6950311 0.80 PPARA (0.60) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6949251 0.79 L3MBTL1 (0.46) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6949208 0.79 PPARA (0.56) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6952340 0.79 L3MBTL1 (0.47) PPARGPPARAPPARDL3MBTL1TDP1
SCHEMBL6955359 0.76 SMN1; SMN2 (0.63) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6484845 0.74 RAB9A (0.71) PPARGPPARAPPARDL3MBTL1TDP1

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