SCHEMBL6952249

SCHEMBL6952249

CCSC(Cc1ccc(OCCN2CSc3ccccc3C2=O)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.39
PPARA Q07869 12/20 0.39
PPARD Q03181 2/20 0.39
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL6953968 0.92 PPARG (0.35) PPARGPPARAPPARDPOLB
SCHEMBL6952000 0.84 ITGB3 (0.41) PPARGPPARAPPARD
SCHEMBL6952576 0.82 PPARG (0.45) PPARGPPARAPPARDCYP2C19
SCHEMBL6953973 0.79 HPGD (0.35) PPARGPPARAPPARD
SCHEMBL6953588 0.78 PPARG (0.39) PPARGPPARAPPARDPOLB
SCHEMBL6955245 0.78 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL6945497 0.75 PPARG (0.36) PPARGPPARAPPARDCYP2C19POLB
SCHEMBL6948887 0.74 PPARG (0.41) PPARGPPARA
SCHEMBL8306153 0.74 NPC1 (0.46) PPARGPPARACYP2C19POLBKMT2A
SCHEMBL6952907 0.73 TP53 (0.40) PPARGPPARAKMT2A

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