SCHEMBL7422602

SCHEMBL7422602

CC(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 1.00
RXRB P28702 9/20 1.00
RARB P10826 10/20 0.64
RARG P13631 10/20 0.64
RXRG P48443 6/20 0.64
RARA P10276 8/20 0.64
CYP26A1 O43174 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP26B1 Q9NR63 1/20 0.63
CRABP2 P29373 1/20 0.59

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
SCHEMBL7760189 0.87 RXRA (0.78) RXRARXRBRARBRARGRXRG
SCHEMBL8458824 0.85 RXRA (1.00) RXRARXRBRARBRARGRXRG
SCHEMBL5888064 0.84 RXRA (0.72) RXRARXRBRARBRARGRXRG
SCHEMBL9519749 0.83 RXRA (0.71) RXRARXRBRARBRARGRXRG
SCHEMBL8681591 0.83 RXRA (0.71) RXRARXRBRARBRARGRXRG
SCHEMBL7759792 0.83 RXRA (0.70) RXRARXRBRARBRARGRXRG
SCHEMBL20646221 0.82 RXRA (0.70) RXRARXRBRARBRARGRXRG
SCHEMBL5083937 0.82 RXRA (0.70) RXRARXRBRARBRARGRXRG
SCHEMBL21794444 0.82 RXRA (0.70) RXRARXRBRARBRARGRXRG
SCHEMBL7154631 0.82 RXRA (0.70) RXRARXRBRARBRARGRXRG

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-5466861-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1995-11-14 US disclosed
WO-1994012880-A2 RXR HOMODIMER FORMATION AND BRIDGED BICYCLIC AROMATIC COMPOUNDS AND THEIR USE IN MODULATING GENE EXPRESSION LA JOLLA CANCER RESEARCH FOUNDATION (US) 1994-06-09 WO disclosed