SCHEMBL6952202

SCHEMBL6952202

CC(C)SC(Cc1ccc(OCCn2ccc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.45
PPARA Q07869 11/20 0.45
PPARD Q03181 5/20 0.45
TNF P01375 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6954580 0.91 TNF (0.41) PPARGPPARAPPARDTNFHTT
SCHEMBL6957154 0.90 TNF (0.49) PPARGPPARAPPARDTNFHTT
SCHEMBL6953552 0.84 HTT (0.61) HTTMEN1ALDH1A1GAACYP2C9
SCHEMBL6955730 0.83 NPC1 (0.62) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL6957273 0.81 PPARG (0.47) PPARGPPARAPPARDTNFRAB9A
SCHEMBL6956263 0.79 PPARG (0.45) PPARGPPARAPPARDTNFPSMB1
SCHEMBL6949013 0.78 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6954585 0.78 TNF (0.41) PPARGPPARAPPARDTNFHTT
SCHEMBL6956510 0.77 HDAC6 (0.52) PPARGHTTGAACYP2C9HPGD
SCHEMBL6948727 0.76 PPARG (0.56) PPARGPPARAPPARDTNFRAB9A

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