SCHEMBL6259693

SCHEMBL6259693

CC(C)(C)c1ccc(C2=CCC(C)(C)c3ccc(C(=Cc4ccc(C(=O)O)cc4)[Si](C)(C)C)cc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.65
RARG P13631 17/20 0.65
RARA P10276 16/20 0.65
RXRA P19793 1/20 0.57
NR2E1 Q9Y466 1/20 0.57

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
SCHEMBL6259688 0.94 RARB (0.65) RARBRARGRARARXRANR2E1
SCHEMBL6259689 0.94 RARB (0.65) RARBRARGRARARXRANR2E1
SCHEMBL6259669 0.90 RARB (0.63) RARBRARGRARARXRANR2E1
SCHEMBL6262565 0.89 RARA (0.72) RARBRARGRARARXRANR2E1
SCHEMBL6427912 0.88 RARB (0.53) RARBRARGRARARXRANR2E1
SCHEMBL6261629 0.88 RARA (0.49) RARBRARGRARARXRANR2E1
SCHEMBL6428264 0.86 RARB (0.53) RARBRARGRARARXRANR2E1
SCHEMBL6262012 0.84 RARB (0.51) RARBRARGRARARXRANR2E1
SCHEMBL6259665 0.84 RARB (0.63) RARBRARGRARARXRANR2E1
SCHEMBL6262562 0.84 RARA (0.75) RARBRARGRARARXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185277-B1 Use of FXR synthetic ligands for the treatment of diseseas linked to cholesterol imbalance and colon cancer ALLERGAN INC (US) 2005-10-26 EP disclosed
US-6906057-B1 Methods for modulating FXR receptor activity ALLERGAN, INC. (US) 2005-06-14 US disclosed
EP-1185539-B1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY ALLERGAN INC (US) 2004-12-01 EP disclosed
US-6452032-B1 ANTAGONISTS, AGONISTS, OR INVERSE AGONISTS PARTICULARLY FOR RETINOID AND FARNESOID RECEPTORS; REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION AND OF LIPID METABOLISM; DERMATOSES SUCH AS ACNE, PSORIASIS, ICTHYOSIS AND ECZEMA ALLERGAN SALES, LLC 2002-09-17 US disclosed
EP-1185277-A1 METHODS FOR MODULATING FXR RECEPTOR ACTIVITY Allergan Sales, Inc. (US) 2002-03-13 EP disclosed
EP-1185539-A1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY Allergan Sales, Inc. (US) 2002-03-13 EP disclosed
WO-2000076523-A1 METHODS FOR MODULATING FXR RECEPTOR ACTIVITY ALLERGAN SALES, INC. (US) 2000-12-21 WO disclosed
WO-2000077011-A1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY ALLERGAN SALES, INC. (US) 2000-12-21 WO disclosed