SCHEMBL7836099

SCHEMBL7836099

Cc1ccc2cccc(OCC(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
CYP2A6 P11509 1/20 0.50
NR2E1 Q9Y466 6/20 0.47
CYP2D6 P10635 4/20 0.44
ALDH1A1 P00352 4/20 0.44
ADRB2 P07550 4/20 0.44
ADRB1 P08588 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2B P41595 3/20 0.44
ADRB3 P13945 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR6 P50406 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
SCN1A P35498 2/20 0.44
SLC10A1 Q14973 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44

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
SCHEMBL29829725 0.82 NR2E1 (0.64) CYP1A2NR2E1CYP2D6ALDH1A1ADRB2
SCHEMBL5031818 0.82 NR2E1 (0.64) CYP1A2NR2E1CYP2D6ALDH1A1ADRB2
SCHEMBL7836096 0.82 CYP1A2 (0.46) CYP1A2NR2E1CYP2D6ALDH1A1ADRB2
SCHEMBL8018172 0.81 CYP1A2 (0.52) CYP1A2CYP2A6NR2E1ALDH1A1SLC6A4
SCHEMBL18053268 0.80 CYP2A6 (0.50) CYP1A2CYP2A6ALDH1A1SLC6A4MAPK1
SCHEMBL7835596 0.80 CYP2A6 (0.50) CYP1A2CYP2A6SLC6A4HTR1B
SCHEMBL3767592 0.79 TLR8 (0.50) CYP1A2NR2E1CYP2D6ALDH1A1ADRB2
Ammonia Solution, Strong SCHEMBL27919268 0.79 CYP2A6 (0.49) CYP1A2CYP2A6SLC6A4HTR1B
SCHEMBL17736798 0.78 MAPT (0.57) CYP1A2CYP2A6ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3160337 0.77 CYP2A6 (0.59) CYP1A2CYP2A6ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed