SCHEMBL10447010

SCHEMBL10447010

O=C(Nc1ccc(F)cc1F)N(CCc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.56
▸ PPARA Q07869 3/20 0.56
▸ PPARD Q03181 2/20 0.56
▸ RAB9A P51151 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ULK1 O75385 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ C5AR1 P21730 1/20 0.43
▸ EEF2K O00418 1/20 0.42
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL10446628 0.82 UBE2M (0.49) PPARGPPARAPPARDRAB9APOLB
SCHEMBL10446648 0.81 UBE2M (0.51) PPARGPPARAPPARDRAB9APOLB
Trifluoroacetic Acid SCHEMBL6731864 0.81 PPARG (0.59) PPARGPPARAPPARDRAB9APOLB
SCHEMBL10446762 0.81 UBE2M (0.52) PPARGPPARAPPARDPOLBTAS1R3
SCHEMBL10447056 0.81 UBE2M (0.51) PPARGPPARAPPARDRAB9APOLB
SCHEMBL10447006 0.81 UBE2M (0.46) RAB9APOLBTAS1R3TAS1R1TAS1R2
SCHEMBL10446687 0.81 UBE2M (0.48) PPARGPPARAPPARDRAB9APOLB
SCHEMBL9259746 0.80 PPARG (0.66) PPARGPPARAPPARDRAB9APOLB
SCHEMBL10447038 0.80 POLB (0.47) PPARGPPARAPPARDRAB9APOLB
SCHEMBL9756708 0.79 PKM (0.44) RAB9AALDH1A1TAS1R3TAS1R1TAS1R2

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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