SCHEMBL10446628

SCHEMBL10446628

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)C1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 12/20 0.49
▸ DCUN1D1 Q96GG9 12/20 0.49
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MCHR1 Q99705 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL10446687 0.94 UBE2M (0.48) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10447056 0.84 UBE2M (0.51) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10446762 0.84 UBE2M (0.52) UBE2MDCUN1D1POLBPPARGPPARD
SCHEMBL10446801 0.84 RAB9A (0.46) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10446648 0.83 UBE2M (0.51) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10447010 0.82 PPARG (0.56) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10447006 0.82 UBE2M (0.46) UBE2MDCUN1D1POLBRAB9ATAS1R3
SCHEMBL10447033 0.82 UBE2M (0.49) UBE2MDCUN1D1PPARGPPARDPPARA
SCHEMBL10446828 0.82 UBE2M (0.50) UBE2MDCUN1D1POLBRAB9APPARG
SCHEMBL9270701 0.81 UBE2M (0.53) UBE2MDCUN1D1POLBRAB9APPARG

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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