SCHEMBL7532649

SCHEMBL7532649

CC(C)Cc1cccc(OC(C)OC(C)N(C)C)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AOC3 Q16853 1/20 0.32

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
Hydrochloric Acid SCHEMBL8053687 0.99 GABRA1 (0.37) GABRA1GABRB2AOC3
SCHEMBL7076726 0.82 GABRA1 (0.40) GABRA1GABRB2
Hydrochloric Acid SCHEMBL11421175 0.81 GABRA1 (0.39) GABRA1GABRB2
Hydrochloric Acid SCHEMBL4452872 0.81 L3MBTL1 (0.30) GABRA1GABRB2
SCHEMBL12002569 0.76 TSHR (0.39) AOC3
SCHEMBL28439986 0.75 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL10876743 0.74 GABRA1 (0.35) GABRA1GABRB2AOC3
SCHEMBL5360957 0.74 GABRA1 (0.33) GABRA1GABRB2
Hydrochloric Acid SCHEMBL56683 0.73 KDM4E (0.33) GABRA1GABRB2
SCHEMBL25267340 0.72 GABRA1 (0.31) GABRA1GABRB2

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-0961856-B1 SIZING EMULSIONS BAYER AG (US) 2002-04-17 EP disclosed
US-5759249-A FOR PAPERMAKING, ALKENYL SUCCINIC ANHYDRIDE, TERTIARY AMINE OR QUATERNARY AMMONIUM SALT CYTEC TECHNOLOGY CORP. (US) 1998-06-02 US disclosed