SCHEMBL6949965

SCHEMBL6949965

CCOC(=O)C(Cc1ccc(OCCN2COc3ccccc3C2=O)cc1)(OC)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.35
PPARG P37231 5/20 0.35
LTA4H P09960 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL6955185 0.86 LTA4H (0.37) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL6950918 0.82 PPARG (0.36) PPARAPPARGLTA4HHPGDNPSR1
Hydrochloric Acid SCHEMBL6944979 0.79 PPARG (0.41) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL7248494 0.77 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL6956266 0.77 PPARA (0.34) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL6948555 0.77 PPARG (0.43) PPARAPPARGRAB9APOLBAPEX1
SCHEMBL6948917 0.76 PPARG (0.40) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL6956385 0.75 PPARG (0.42) PPARAPPARGALDH1A1POLBAPEX1
SCHEMBL7248373 0.74 PPARG (0.62) PPARAPPARGPPARD
SCHEMBL7250197 0.74 NR1H4 (0.40) HPGDNPSR1ALDH1A1POLBMEN1

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