SCHEMBL10447161

SCHEMBL10447161

COc1c(C)c(C)c(OC)c2c1CC(N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 11/20 0.49
▸ DCUN1D1 Q96GG9 11/20 0.49
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10446813 0.89 UBE2M (0.50) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446649 0.87 UBE2M (0.46) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446828 0.85 UBE2M (0.50) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446680 0.82 UBE2M (0.50) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447157 0.81 NPSR1 (0.48) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10447101 0.81 RAB9A (0.43) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446762 0.79 UBE2M (0.52) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446648 0.78 UBE2M (0.51) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446424 0.77 RAB9A (0.46) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446830 0.77 MEN1 (0.52) UBE2MDCUN1D1PPARGPPARDPPARA

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-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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