SCHEMBL8196019

SCHEMBL8196019

COC(=O)/C=C(C)/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.76
RARG P13631 8/20 0.76
RARB P10826 8/20 0.76
RXRG P48443 11/20 0.41
RXRB P28702 9/20 0.41
RARA P10276 5/20 0.40
PPARG P37231 1/20 0.38

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
SCHEMBL8196021 1.00 RXRA (0.76) RXRARARGRARBRXRGRXRB
SCHEMBL7846457 0.89 RXRA (0.71) RXRARARGRARBRXRGRXRB
SCHEMBL7846464 0.89 RXRA (0.71) RXRARARGRARBRXRGRXRB
SCHEMBL4879231 0.88 RXRA (0.96) RXRARARGRARBRXRGRXRB
SCHEMBL4879243 0.88 RXRA (0.96) RXRARARGRARBRXRGRXRB
SCHEMBL8674942 0.87 RXRA (0.94) RXRARARGRARBRXRGRXRB
SCHEMBL8359437 0.87 RXRA (0.94) RXRARARGRARBRXRGRXRB
SCHEMBL8359441 0.87 RXRA (0.94) RXRARARGRARBRXRGRXRB
SCHEMBL8222641 0.87 RXRA (0.78) RXRARARGRARBRXRGRXRB
SCHEMBL8197360 0.87 RXRA (0.74) RXRARARGRARBRXRGRXRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed