SCHEMBL12966535

SCHEMBL12966535

CN(C)N=Nc1ccc(Cc2ccc(OC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.58
▸ PPARD Q03181 15/20 0.58
▸ PPARG P37231 7/20 0.58

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
SCHEMBL12966539 0.85 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL12966532 0.83 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL12966538 0.82 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL11566625 0.78 PPARG (0.70) PPARAPPARDPPARG
SCHEMBL12966540 0.76 LTA4H (0.60) —
SCHEMBL12966537 0.76 CYP1A2 (0.46) PPARAPPARG
SCHEMBL2475726 0.76 LMNA (0.50) —
SCHEMBL4036197 0.76 PPARG (0.66) PPARAPPARDPPARG
SCHEMBL3811479 0.76 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL17991985 0.74 LMNA (0.45) —

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
WO-2012130850-A1 TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — WO disclosed
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