SCHEMBL903364

SCHEMBL903364

CCCc1ccccc1C(C)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.42
CYSLTR1 Q9Y271 8/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.40
KMT2A Q03164 1/20 0.36
TSHR P16473 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
SCHEMBL27624262 0.81 GABRA1 (0.41) CYSLTR2CYSLTR1ADRA2AADRA2BTSHR
SCHEMBL7643940 0.77 ADRA2A (0.44) CYSLTR2CYSLTR1ADRA2AADRA2BADRA2C
SCHEMBL872725 0.77 ADRA2A (0.44) CYSLTR2CYSLTR1ADRA2AADRA2BADRA2C
SCHEMBL4843352 0.77 ADRA2A (0.46) CYSLTR2CYSLTR1ADRA2AADRA2BADRA2C
SCHEMBL9621039 0.77 ADRA2A (0.46) CYSLTR2CYSLTR1ADRA2AADRA2BADRA2C
SCHEMBL6901338 0.76 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL4615949 0.76 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL4029728 0.75 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL27842150 0.75 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL28373053 0.75 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARAPPARG

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
WO-2013116200-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-08 WO disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed