SCHEMBL17732271

SCHEMBL17732271

COCCCOc1cc(CC(C(N)=O)C(C)(C)COC)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19087185 0.84 REN (0.42) RENALDH1A1SMN1; SMN2
SCHEMBL17721709 0.82 REN (0.37) RENALDH1A1SMN1; SMN2
SCHEMBL17261387 0.81 REN (0.48) REN
SCHEMBL19087210 0.80 REN (0.39) REN
SCHEMBL20059002 0.79 REN (0.42) REN
SCHEMBL17721710 0.78 PPARA (0.38) RENPPARGPPARDPPARAALDH1A1
SCHEMBL19087208 0.78 REN (0.36) RENPPARGPPARDPPARAALDH1A1
SCHEMBL29840524 0.77 REN (0.39) RENALDH1A1
SCHEMBL16930095 0.77 REN (0.39) RENALDH1A1
SCHEMBL17709276 0.77 LMNA (0.37) RENPPARGPPARDPPARAALDH1A1

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-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 EP disclosed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 WO disclosed