SCHEMBL5406952

SCHEMBL5406952

Cc1cc2c(cc1C)C(C)(C)CC2=C(C#N)C(=O)C(C)(C)C.Cc1ccc2c(c1)C(=C(C#N)C(=O)C(C)(C)C)CC2(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL5406948 1.00 RARB (0.30) RARBRARGRXRAPGR
SCHEMBL5398492 0.94 RARA (0.31) RARBRARGRXRAPGR
SCHEMBL5398488 0.94 RARA (0.31) RARBRARGRXRAPGR
SCHEMBL5406525 0.92 RARB (0.32) RARBRARGRXRA
SCHEMBL5406530 0.92 RARB (0.32) RARBRARGRXRA
SCHEMBL5400823 0.87 PGR (0.35) PGR
SCHEMBL5403688 0.81 EGFR (0.31)
SCHEMBL14439938 0.81
SCHEMBL14440622 0.78 NOTUM (0.37)
SCHEMBL5397192 0.77 ALDH1A1 (0.36) RARBRARGRXRA

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
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US claimed