SCHEMBL8905100

SCHEMBL8905100

CCCOc1cc2c(cc1C=Cc1ccccc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.53
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
HNF4A P41235 5/20 0.46
PPARG P37231 1/20 0.40
NR1H3 Q13133 1/20 0.40
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8904416 0.94 RXRA (0.52) RXRARARARARBRARGRXRB
SCHEMBL8904386 0.86 RXRA (0.44) RXRARARARARBRARGRXRB
SCHEMBL8904383 0.86 RXRA (0.44) RXRARARARARBRARGRXRB
SCHEMBL8905703 0.85 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL8905707 0.85 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL7207880 0.82 RARB (0.64) RXRARARARARBRARGRXRB
SCHEMBL7207884 0.82 RARB (0.64) RXRARARARARBRARGRXRB
SCHEMBL8905104 0.81 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL8905864 0.81 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL8905251 0.79 RXRA (0.53) RXRARARARARBRARGRXRB

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