SCHEMBL8601781

SCHEMBL8601781

CCC(O)CN.CCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
CETP P11597 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
SCHEMBL27292290 0.86 GABRR1 (0.42) GABRR1GABBR2GABBR1HTTLMNA
SCHEMBL428659 0.86
SCHEMBL24906 0.86
SCHEMBL16269701 0.86 GABRR1 (0.42) GABRR1GABBR2GABBR1HTTLMNA
SCHEMBL772924 0.86
Water SCHEMBL28099735 0.83
Methane SCHEMBL28148823 0.83
Hydrochloric Acid SCHEMBL9015216 0.83
Ammonia Solution, Strong SCHEMBL15129140 0.83
Isopropyl Alcohol SCHEMBL1401764 0.80 TSHR (0.44) GABRR1GABBR2GABBR1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647259-B1 THE USE OF 1,3-DIOXANES IN LUBRICANT AND RELEASE AGENTS PERSTORP AB (SE) 1998-02-04 EP claimed
EP-0647259-A1 THE USE OF 1,3-DIOXANES IN LUBRICANT AND RELEASE AGENTS PERSTORP AB (SE) 1995-04-12 EP claimed
WO-1994000539-A1 THE USE OF 1,3-DIOXANES IN LUBRICANT AND RELEASE AGENTS PERSTORP AB (SE) 1994-01-06 WO claimed
CN-1196752-C Coating composition containing metal flake powder and having improved charm DU PONT (US) 2005-04-13 CN disclosed
CN-1324900-A Coating composition containing metal flake powder and having improved charm DU PONT (US) 2001-12-05 CN disclosed