SCHEMBL10446869

SCHEMBL10446869

CC(C)(C)c1cc(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ UBE2M P61081 6/20 0.41
▸ DCUN1D1 Q96GG9 6/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ P2RY1 P47900 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ GCGR P47871 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
SCHEMBL10446682 0.92 PPARG (0.44) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10446784 0.85 RECQL (0.47) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10446424 0.85 RAB9A (0.46) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10447044 0.84 UBE2M (0.42) PPARAUBE2MDCUN1D1POLBRAB9A
SCHEMBL10447012 0.84 HTT (0.39) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10446648 0.83 UBE2M (0.51) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10446762 0.83 UBE2M (0.52) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10447041 0.83 UBE2M (0.38) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10446599 0.81 MEN1 (0.44) PPARGPPARDPPARAHTTUBE2M
SCHEMBL10447056 0.81 UBE2M (0.51) PPARGPPARDPPARAHTTUBE2M

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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