SCHEMBL9846106

SCHEMBL9846106

CCc1cc(CCc2cc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.34
PDE4B Q07343 7/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL9846426 0.82 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DRARA
SCHEMBL9846244 0.81 APOBEC3A (0.30)
SCHEMBL9846119 0.75 TTR (0.30) RARARARBRARG
SCHEMBL9846121 0.75 TTR (0.30) RARARARBRARG
SCHEMBL9846220 0.73 ALOX5 (0.32)
SCHEMBL9846102 0.72 GRIN2D (0.36)
SCHEMBL9432051 0.71 APOBEC3A (0.33)
SCHEMBL9432058 0.70 TAAR1 (0.50)
SCHEMBL9846324 0.68
SCHEMBL9846323 0.68

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed