SCHEMBL8905583

SCHEMBL8905583

CCCCCCCCc1cc2c(cc1/C=C/OC(=O)c1ccccc1)CCC(C)(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
PRKCA P17252 3/20 0.33
OXER1 Q8TDS5 1/20 0.33
PPARA Q07869 2/20 0.33
RXRA P19793 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32

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
SCHEMBL8905589 1.00 THRA (0.34) THRATHRBCYSLTR2CYSLTR1PRKCA
SCHEMBL8906016 0.83 RXRA (0.44) RXRAPPARG
SCHEMBL8905256 0.80 RXRA (0.47) RXRA
SCHEMBL7207124 0.79 RARB (0.44) RXRA
SCHEMBL7207116 0.79 RARB (0.44) RXRA
SCHEMBL9418983 0.70 RARB (0.46) RXRA
SCHEMBL8904420 0.70 RXRA (0.48) RXRAPPARG
SCHEMBL9418989 0.70 RARB (0.46) RXRA
SCHEMBL9418986 0.69 RXRA (0.47) RXRA
SCHEMBL9418981 0.69 RXRA (0.47) RXRA

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-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed