SCHEMBL8546302

SCHEMBL8546302

CCCN(CC1CCOC1)[C](C[N+](=O)[O-])NCC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
BCHE P06276 1/20 0.30

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
SCHEMBL8551570 0.82 THRB (0.33) THRBALDH1A1PKMBCHE
SCHEMBL8551568 0.82 THRB (0.33) THRBALDH1A1PKMBCHE
SCHEMBL8545861 0.76 THRB (0.33) THRBALDH1A1PKM
SCHEMBL8545859 0.76 THRB (0.33) THRBALDH1A1PKM
SCHEMBL8550124 0.74 THRB (0.32) THRB
SCHEMBL8550126 0.74 THRB (0.32) THRB
SCHEMBL8546307 0.69 CRHR1 (0.30)
SCHEMBL8550998 0.68
SCHEMBL8551000 0.68
SCHEMBL8547465 0.66 BCHE (0.33) BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed