SCHEMBL8905256

SCHEMBL8905256

CCCCc1cc2c(cc1C=COC(=O)c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.47
RARB P10826 4/20 0.38
RARG P13631 4/20 0.38
RARA P10276 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
HNF4A P41235 3/20 0.36
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL8906016 0.97 RXRA (0.44) RXRARARBRARGRARARXRB
SCHEMBL8904420 0.83 RXRA (0.48) RXRARARBRARGRARARXRB
SCHEMBL8907180 0.82 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL8905104 0.81 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL8905864 0.81 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL8905589 0.80 THRA (0.34) RXRA
SCHEMBL8905583 0.80 THRA (0.34) RXRA
SCHEMBL8905251 0.79 RXRA (0.53) RXRARARBRARGRARARXRB
SCHEMBL10843886 0.79 RARA (0.50) RXRARARBRARGRARARXRB
SCHEMBL10843882 0.79 RARA (0.50) RXRARARBRARGRARARXRB

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