SCHEMBL8772837

SCHEMBL8772837

C#Cc1c(C(=O)O)cccc1-c1ccc2c(c1)C(C)(C)CC=C2c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.35
RARB P10826 13/20 0.35
RARG P13631 12/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SLC6A9 P48067 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL8772786 0.93 RARB (0.40) RARARARBRARG
SCHEMBL8772633 0.84 RARB (0.47) RARARARBRARG
SCHEMBL8772796 0.82 RARB (0.48) RARARARBRARG
SCHEMBL8772773 0.77 RARA (0.39) RARARARBRARG
SCHEMBL8667334 0.76 RARB (0.38) RARARARBRARGPTGDR2
SCHEMBL8772745 0.75 RARA (0.50) RARARARBRARG
SCHEMBL8772664 0.74 RARB (0.40) RARARARBRARG
SCHEMBL8772662 0.74 RARB (0.42) RARARARBRARG
SCHEMBL8772764 0.73 RARB (0.33) RARARARBRARG
SCHEMBL7635148 0.73 RARB (0.58) RARARARBRARG

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-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 EP disclosed