SCHEMBL2592053

SCHEMBL2592053

CCc1ccccc1CCC(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AOC3 Q16853 5/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BCAT2 O15382 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTT P42858 1/20 0.39
ASAH1 Q13510 1/20 0.39

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
SCHEMBL7809658 0.90 RIPK1 (0.53) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL30849675 0.81 RIPK1 (0.50) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL31005083 0.79 TAAR1 (0.48) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL31005082 0.79 TAAR1 (0.48) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL11050916 0.79 TAAR1 (0.48) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL6547043 0.79 RIPK1 (0.48) RIPK1AOC3SLC6A2SLC6A4HTT
SCHEMBL7942004 0.78 PPARG (0.46) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL477470 0.78 PPARG (0.54) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL936320 0.78 PPARG (0.58) LMNAPPARGPPARARIPK1KDM4E
SCHEMBL5835025 0.78 PPARG (0.54) LMNAPPARGPPARARIPK1KDM4E

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-20110274994-A1 Catalyst and Liquid Combination for a Thermally Regenerative Fuel Cell QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-11-10 US disclosed