SCHEMBL10447033

SCHEMBL10447033

CC(C)c1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 12/20 0.49
▸ DCUN1D1 Q96GG9 12/20 0.49
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ ULK1 O75385 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL10447056 0.89 UBE2M (0.51) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446762 0.89 UBE2M (0.52) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446784 0.87 RECQL (0.47) UBE2MDCUN1D1HTTRECQLPPARG
SCHEMBL10446934 0.84 HTT (0.47) UBE2MDCUN1D1HTTRECQLTAS1R3
SCHEMBL10446648 0.83 UBE2M (0.51) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446830 0.83 MEN1 (0.52) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446628 0.82 UBE2M (0.49) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446599 0.81 MEN1 (0.44) UBE2MDCUN1D1HTTPPARGPPARD
SCHEMBL10446779 0.81 PKM (0.46) UBE2MDCUN1D1HTTRECQLPPARG
SCHEMBL9756708 0.81 PKM (0.44) UBE2MDCUN1D1HTTTAS1R3TAS1R1

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 claimed
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