SCHEMBL9680790

SCHEMBL9680790

CC(C)CN(OCc1ccccc1)C(=O)COc1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
PPARG P37231 6/20 0.38
PPARA Q07869 4/20 0.37
PPARD Q03181 2/20 0.37
XDH P47989 2/20 0.37

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
SCHEMBL9682723 0.89 TLR4 (0.39) XDH
SCHEMBL9682057 0.85 ELANE (0.42) ELANEPPARGPPARAPPARDXDH
SCHEMBL9681318 0.84 ELANE (0.41) ELANEPPARAXDH
SCHEMBL9022222 0.76 PPARG (0.41) ELANEPPARGPPARA
SCHEMBL9403532 0.76 MEN1 (0.53) ELANEPPARGPPARAXDH
SCHEMBL9682007 0.75 TLR4 (0.41) ELANEXDH
SCHEMBL9681745 0.75 XDH (0.41) ELANEPPARAPPARDXDH
SCHEMBL9408698 0.74 XDH (0.40) ELANEXDH
SCHEMBL10830906 0.74 KMT2A (0.56) ELANE
SCHEMBL10830793 0.73 SMN1; SMN2 (0.41) ELANEPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP claimed
JP-3204867-A None JP disclosed
JP-H03204867-A ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEM IND CO LTD 1991-09-06 JP disclosed