SCHEMBL10446682

SCHEMBL10446682

CC(C)(C)c1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CCCc3ccccc3C2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ UBE2M P61081 6/20 0.39
▸ DCUN1D1 Q96GG9 6/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SOAT1 P35610 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RY1 P47900 2/20 0.35

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
SCHEMBL10446869 0.92 PPARG (0.43) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446687 0.87 UBE2M (0.48) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10447066 0.87 PPARG (0.43) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446688 0.85 PPARG (0.41) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446628 0.81 UBE2M (0.49) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446788 0.80 UBE2M (0.44) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446784 0.78 RECQL (0.47) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446424 0.78 RAB9A (0.46) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10447044 0.77 UBE2M (0.42) PPARAUBE2MDCUN1D1THRBRAB9A
SCHEMBL10447012 0.77 HTT (0.39) PPARGPPARDPPARAUBE2MDCUN1D1

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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