SCHEMBL28678223

SCHEMBL28678223

CCCCCNC(=O)Oc1ccc(C(=O)N[C@@H](CCCC)Cc2cccc(OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28697806 0.87 TAS1R3 (0.52) TAS1R3TAS1R1GAAMAPT
SCHEMBL28697807 0.87 TAS1R3 (0.52) TAS1R3TAS1R1GAAMAPT
SCHEMBL29368864 0.84 TAS1R3 (0.61) TAS1R3TAS1R1
SCHEMBL27175282 0.83 TAS1R3 (0.55) TAS1R3TAS1R1
SCHEMBL27175279 0.83 TAS1R3 (0.55) TAS1R3TAS1R1
SCHEMBL22441334 0.83 TAS1R3 (0.55) TAS1R3TAS1R1GAA
SCHEMBL29368573 0.83 TAS1R3 (0.55) TAS1R3TAS1R1GAA
SCHEMBL22441335 0.83 TAS1R3 (0.55) TAS1R3TAS1R1GAA
SCHEMBL22441253 0.81 TAS1R3 (0.52) TAS1R3TAS1R1GAAMAPT
SCHEMBL22441250 0.81 TAS1R3 (0.52) TAS1R3TAS1R1GAAMAPT

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
CN-114008024-A Compounds having iron death inducing activity and methods of using the same 费罗治疗公司 2022-02-01 CN disclosed