SCHEMBL13286287

SCHEMBL13286287

CC1(C)CC(NC=O)CC(C)(N)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.38
ADH1A P07327 4/20 0.38
ADH1C P00326 3/20 0.35
ADH7 P40394 2/20 0.35
ADH4 P08319 1/20 0.34

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
SCHEMBL90869 0.86 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13038404 0.77 TSHR (0.38) ADH1BADH1AADH1CADH7ADH4
SCHEMBL988542 0.75
Ammonia Solution, Strong SCHEMBL28059655 0.74
SCHEMBL6290155 0.72 TSHR (0.40)
SCHEMBL8750929 0.72 TSHR (0.43) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8068995 0.71 ADH1B (0.44) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8845875 0.71 KCNH2 (0.31)
SCHEMBL8057567 0.70 ADH1B (0.32) ADH1BADH1AADH1CADH7
SCHEMBL6290109 0.69 TSHR (0.38)

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-20170038499-A1 COMPOSITION FOR MANUFACTURING CONTACT LENSES AND METHOD FOR MANUFACTURING CONTACT LENSES BY USING THE SAME BENQ MATERIALS CORPORATION (TW) 2017-02-09 US disclosed
EP-2204404-A1 Polymer compositions with improved barrier properties against the permeation of oxygen Airsec S.A.S. (FR) 2010-07-07 EP disclosed