SCHEMBL9418804

SCHEMBL9418804

C=CC(CCCC)NC=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.47
ADH1C P00326 4/20 0.47
ADH1A P07327 4/20 0.47
ADH7 P40394 3/20 0.47
ADH4 P08319 2/20 0.47
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 8/20 0.38
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
SLC15A1 P46059 1/20 0.32
FAAH O00519 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31

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
SCHEMBL2363325 0.94 ADH1B (0.55) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9418815 0.92 ADH1B (0.58) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9418800 0.87
SCHEMBL13350654 0.83 ADH1B (0.50) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3528415 0.79 ADH1B (0.47) ADH1BADH1CADH1AADH7ADH4
SCHEMBL7630634 0.78
SCHEMBL3529234 0.73 ADH1B (0.55) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8693236 0.73 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL14399676 0.73 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9941394 0.72 TSHR (0.38) ADH1BADH1CADH1AADH7ADH4

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
US-5332780-A Resin blend with groups reactive with amino groups, graft copolymers and thermoplasstic resins DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1994-07-26 US disclosed
EP-0565387-A1 Copolymers and thermoplastic resin compositions DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-10-13 EP disclosed