SCHEMBL2174458

SCHEMBL2174458

CC(Cc1ccc(Br)cc1)(OCC1CC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BLM P54132 1/20 0.36
MAOB P27338 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MME P08473 1/20 0.35
PPARD Q03181 2/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL2173510 1.00 PPARA (0.39) PPARAPPARGRXRARXRBCHRNB2
SCHEMBL2175393 0.79 PPARA (0.43) PPARAPPARGRXRARXRBALDH1A1
SCHEMBL2177734 0.79 PPARA (0.43) PPARAPPARGRXRARXRBALDH1A1
SCHEMBL2175272 0.78 PPARG (0.49) PPARAPPARGRXRARXRBALDH1A1
SCHEMBL2176897 0.78 PPARG (0.49) PPARAPPARGRXRARXRBALDH1A1
SCHEMBL1930436 0.74 PPARG (0.42) PPARAPPARGALDH1A1SMN1; SMN2PPARD
SCHEMBL1930101 0.74 PPARG (0.42) PPARAPPARGALDH1A1SMN1; SMN2PPARD
SCHEMBL12492687 0.71 BLM (0.46) PPARABLMMMEPPARDMEN1
SCHEMBL5149405 0.71 BLM (0.46) PPARARXRARXRBALDH1A1SMN1; SMN2
SCHEMBL11121410 0.70 RXRA (0.46) RXRARXRBALDH1A1SMN1; SMN2MAOB

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