SCHEMBL2175393

SCHEMBL2175393

CCCO[C@@](C)(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PPARD Q03181 2/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MMP8 P22894 1/20 0.38
BLM P54132 1/20 0.37
MAOB P27338 1/20 0.37
MME P08473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
SRD5A2 P31213 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 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
SCHEMBL2177734 1.00 PPARA (0.43) PPARAPPARGLMNAALDH1A1POLB
SCHEMBL2175272 0.84 PPARG (0.49) PPARAPPARGALDH1A1MAPTRXRA
SCHEMBL2176897 0.84 PPARG (0.49) PPARAPPARGALDH1A1MAPTRXRA
SCHEMBL2173510 0.79 PPARA (0.39) PPARAPPARGALDH1A1PPARDRXRA
SCHEMBL2174458 0.79 PPARA (0.39) PPARAPPARGALDH1A1PPARDRXRA
SCHEMBL28205569 0.76 PPARG (0.56) PPARAPPARGLMNAALDH1A1PPARD
SCHEMBL11121410 0.75 RXRA (0.46) ALDH1A1POLBCTDSP1MAPTRXRA
SCHEMBL5149405 0.73 BLM (0.46) PPARALMNAALDH1A1POLBCTDSP1
SCHEMBL12492687 0.73 BLM (0.46) PPARALMNAPOLBCTDSP1PPARD
SCHEMBL2175094 0.72 BLM (0.44) PPARALMNAALDH1A1POLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed