SCHEMBL8808653

SCHEMBL8808653

CCC1(CC)CCC(CC)(CC)c2c1cc1c(c2[N+](=O)[O-])CCC/C1=C/C=C/C(C)=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.39
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33

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
SCHEMBL8808656 1.00 RXRA (0.39) RXRARARARARBRARGRXRB
SCHEMBL8311518 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8309723 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8309727 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8311020 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8309720 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8311522 0.85 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8309025 0.69 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8309023 0.69 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL8445684 0.68 RXRA (0.42) 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
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed