SCHEMBL18174524

SCHEMBL18174524

CC(=O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.79
SLC22A12 Q96S37 1/20 0.67
PPARA Q07869 1/20 0.45
P2RY1 P47900 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FAAH O00519 1/20 0.41
SLC6A9 P48067 1/20 0.41
MAOB P27338 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL15267524 1.00 PPARG (0.79) PPARGSLC22A12PPARAP2RY1PTGER4
SCHEMBL18174520 1.00 PPARG (0.79) PPARGSLC22A12PPARAP2RY1PTGER4
Mbx-102 Acid Form SCHEMBL12189837 0.88 PPARG (1.00) PPARGSLC22A12PPARAP2RY1PTGER4
SCHEMBL2450141 0.88 PPARG (0.81) PPARGSLC22A12PPARAP2RY1PTGER4
Metaglidasen SCHEMBL14606136 0.88 PPARG (1.00) PPARGSLC22A12PPARAP2RY1PTGER4
SCHEMBL18174880 0.88 PPARG (0.61) PPARGSLC22A12PPARAP2RY1KDM4E
SCHEMBL12189841 0.88 PPARG (0.81) PPARGSLC22A12PPARAP2RY1PTGER4
SCHEMBL15267987 0.88 PPARG (0.61) PPARGSLC22A12PPARAP2RY1KDM4E
SCHEMBL18174879 0.88 PPARG (0.61) PPARGSLC22A12PPARAP2RY1KDM4E
Metaglidasen SCHEMBL29387584 0.88 PPARG (1.00) PPARGSLC22A12PPARAP2RY1PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016181199-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT MOHAN M ALAPATI (IN) 2016-11-17 WO disclosed
US-9475747-B1 Compositions and methods for the treatment of urea cycle disorders and gout ALAPATI MOHAN MURALI (IN) 2016-10-25 US disclosed
US-9475747-B1 Compositions and methods for the treatment of urea cycle disorders and gout ALAPATI MOHAN MURALI (IN) 2016-10-25 US disclosed