SCHEMBL10446784

SCHEMBL10446784

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ UBE2M P61081 11/20 0.45
▸ DCUN1D1 Q96GG9 11/20 0.45
▸ HTT P42858 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ P2RY1 P47900 1/20 0.39

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
SCHEMBL10447033 0.87 UBE2M (0.49) RECQLUBE2MDCUN1D1HTTTAS1R3
SCHEMBL10446424 0.85 RAB9A (0.46) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446869 0.85 PPARG (0.43) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446691 0.84 RECQL (0.44) RECQLUBE2MDCUN1D1HTTTAS1R3
SCHEMBL10447171 0.84 RECQL (0.44) RECQLUBE2MDCUN1D1HTTTAS1R3
SCHEMBL10446762 0.83 UBE2M (0.52) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446648 0.82 UBE2M (0.51) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447056 0.81 UBE2M (0.51) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447157 0.81 NPSR1 (0.48) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446599 0.80 MEN1 (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 disclosed
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