SCHEMBL6262009

SCHEMBL6262009

[CH2]c1ccc(/C(=C/[Si](C)(C)C)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)=CCC3(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.52
RARA P10276 17/20 0.52
RARG P13631 16/20 0.52
RXRA P19793 1/20 0.41
NR2E1 Q9Y466 1/20 0.41

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
SCHEMBL6259685 0.89 RARB (0.67) RARBRARARARGRXRANR2E1
SCHEMBL6261624 0.89 RARA (0.51) RARBRARARARGRXRANR2E1
SCHEMBL6262012 0.81 RARB (0.51) RARBRARARARGRXRANR2E1
SCHEMBL6259664 0.78 RARB (0.66) RARBRARARARGRXRANR2E1
SCHEMBL6262558 0.78 RARB (0.68) RARBRARARARGRXRANR2E1
SCHEMBL6261094 0.77 RARB (0.49) RARBRARARARGRXRANR2E1
SCHEMBL6264492 0.76 RARA (0.52) RARBRARARARGRXRANR2E1
SCHEMBL6259693 0.72 RARB (0.65) RARBRARARARGRXRANR2E1
SCHEMBL6263345 0.72 RARB (0.58) RARBRARARARGRXRANR2E1
SCHEMBL6261629 0.72 RARA (0.49) RARBRARARARGRXRANR2E1

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
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-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