SCHEMBL16348309

SCHEMBL16348309

CCn1ccc(-c2cc(Cl)ccc2OC(C(=O)O)c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.52
PPARG P37231 3/20 0.52
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSPO P30536 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CTSA P10619 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16348327 0.95 PPARA (0.46) PPARAPPARGNPC1POLBRAB9A
SCHEMBL16348306 0.95 PPARG (0.51) PPARAPPARGNPC1POLBRAB9A
SCHEMBL16348312 0.92 PPARA (0.43) PPARAPPARGL3MBTL1NPC1POLB
SCHEMBL16348362 0.91 PPARG (0.42) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL16348369 0.90 PPARA (0.48) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL16348314 0.90 PPARA (0.52) PPARAPPARGALDH1A1NPC1RAB9A
SCHEMBL16348352 0.89 PPARG (0.48) PPARAPPARG
SCHEMBL16348424 0.88 PPARA (0.40) PPARAPPARGALDH1A1PTGDR2KEAP1
SCHEMBL16350102 0.88 PPARG (0.46) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL16348423 0.88 PPARG (0.46) PPARAPPARGNPC1RAB9ASMN1; SMN2

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed