SCHEMBL8905607

SCHEMBL8905607

CCCCCCc1cc2c(cc1C=Cc1ccccc1C(=O)O)CCCCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
PLK1 P53350 4/20 0.37
KAT8 Q9H7Z6 3/20 0.36
PPARA Q07869 2/20 0.36
PLK3 Q9H4B4 3/20 0.36
TRPA1 O75762 1/20 0.36
TRPM2 O94759 1/20 0.36
PLA2G1B P04054 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PPARG P37231 1/20 0.34
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34

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
SCHEMBL8906153 0.96 RXRA (0.45) RXRARXRBRXRG
SCHEMBL8910622 0.92 RXRA (0.43) RXRARXRBRXRG
SCHEMBL8906010 0.87 RXRA (0.49) RXRARXRBRXRGPLK1TRPA1
SCHEMBL7208507 0.85 RXRA (0.48) RXRARXRBRXRG
SCHEMBL7208504 0.85 RXRA (0.48) RXRARXRBRXRG
SCHEMBL8905251 0.84 RXRA (0.53) RXRARXRBRXRG
SCHEMBL6674721 0.82 RXRA (0.50) RXRARXRBRXRGKAT8PPARA
SCHEMBL7212216 0.80 RXRA (0.53) RXRARXRBRXRG
SCHEMBL7212209 0.80 RXRA (0.53) RXRARXRBRXRG
SCHEMBL8904571 0.78 CYSLTR2 (0.35) RXRAPLK1KAT8PPARAPLK3

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