SCHEMBL7747839

SCHEMBL7747839

CCCCCC12CCC(CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
GAA P10253 5/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL11201357 0.85 MEN1 (0.40) GAATSHRTHRB
SCHEMBL4819390 0.85 MEN1 (0.40) GAATSHRTHRB
SCHEMBL11196399 0.85 MEN1 (0.40) GAATSHRTHRB
SCHEMBL892472 0.82 HSD11B1 (0.30) HSD11B1
SCHEMBL10783825 0.82 TSHR (0.41) CCR2DPP4FAPDPP7HSD11B1
SCHEMBL10787187 0.79 TSHR (0.47) HSD11B1HSD11B2TSHRTHRB
SCHEMBL2356470 0.79 MEN1 (0.42) GAAHSD11B1
SCHEMBL10782756 0.77 HSD11B1 (0.39) CCR2GAADPP4FAPDPP7
SCHEMBL8626986 0.75 GRIN2D (0.48) TSHRTHRB
SCHEMBL3733044 0.74 GRIN2D (0.54) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766349-A1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH CARBOCYCLES OR HETEROCYCLES, METHOD FOR PRODUCING SAME, DRUGS CONTAINING SAID COMPOUNDS, AND USE THEREOF SANOFI (FR) 2014-08-20 EP disclosed
WO-2012120052-A1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH CARBOCYCLES OR HETEROCYCLES, METHOD FOR PRODUCING SAME, DRUGS CONTAINING SAID COMPOUNDS, AND USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
US-6187393-B1 FOR LIQUID CRYSTAL DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-13 US disclosed
EP-1070059-A1 CHROMANONE AND THIOCHROMANONE DERIVATIVES Novartis AG (CH) 2001-01-24 EP disclosed
WO-1999052890-A1 CHROMANONE AND THIOCHROMANONE DERIVATIVES NOVARTIS AG (CH) 1999-10-21 WO disclosed
EP-0120560-B1 LIQUID CRYSTAL MATERIALS AND ADDITIVE COMPOUNDS CONTAINING A BICYCLO(2,2,2,)OCTANE STRUCTURE SUITABLE FOR USE IN THEM The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-08-19 EP disclosed
US-4544497-A DISPLAY DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1985-10-01 US disclosed
EP-0120560-A2 Liquid crystal materials and additive compounds containing a bicyclo(2,2,2,)octane structure suitable for use in them The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1984-10-03 EP disclosed