SCHEMBL2042941

SCHEMBL2042941

CC(C)Cc1cccc([O])c1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRB2 P47870 4/20 0.52
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA2 P47869 1/20 0.31
FBP1 P09467 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL2743774 0.84 GABRA1 (0.62) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL660274 0.80 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL9340072 0.79 GABRA1 (0.52) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL4395702 0.78 GABRA1 (0.60) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL7356250 0.78 GABRA1 (0.50) GABRA1GABRB2ELANECTSGGABRG2
Carbimide SCHEMBL28662233 0.77 GABRA1 (0.54) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL9243360 0.77 GABRA1 (0.54) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL301137 0.75 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL2399172 0.75 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3GABRA2
SCHEMBL677035 0.75 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2

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 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109312218-A Determining residual friction reducer concentration for subterranean treatment fluids 多化学集团有限责任公司 2019-02-05 CN claimed
CN-107466207-A Antimicrobial compositions 拜奥特罗尔有限公司 2017-12-12 CN claimed
CN-104208064-A Medicament containing fluoroquinolones BAYER ANIMAL HEALTH GMBH 2014-12-17 CN claimed
CN-1642540-B Suramin and derivatives thereof as topical microbicide and contraceptive EASTERN VIRGINIA MED SCHOOL 2014-12-10 CN claimed
CN-102057951-B Microbicide combinations containing silver ROHM & HAAS 2014-01-15 CN claimed
CN-103432091-A Improved-performance tablet and preparation method thereof ZHONG SHUGUANG 2013-12-11 CN claimed
CN-102057951-A Microbicide combinations containing silver ROHM & HAAS 2011-05-18 CN claimed
CN-101394836-A Medicament containing fluoroquinolones BAYER ANIMAL HEALTH GMBH (DE) 2009-03-25 CN claimed
CN-101180967-A Silver-containing biocide combinations ROHM & HAAS (US) 2008-05-21 CN claimed
CN-1720024-A Therapeutic compositions for drug delivery to and through covering epithelia UMD INC (US) 2006-01-11 CN claimed
CN-1642540-A Suramin and derivatives thereof as topical microbicide and contraceptive EASTERN VIRGINIA MED SCHOOL (US) 2005-07-20 CN claimed
CN-1636543-A Deodorant compositions containing cyclodextrin odor controlling agents PROCTER & GAMBLE (US) 2005-07-13 CN claimed
CN-1355685-A Deodorant compositions containing cyclodextrin odor control agents PROCTER & GAMBLE (US) 2002-06-26 CN claimed
CN-1292258-A Detergent composition made from keratin material OREAL (FR) 2001-04-25 CN claimed
CN-1258191-A Antimicrobial prevention and treatment of human immunodeficiency virus and other infectious diseases MERYL SQUIRES (US) 2000-06-28 CN claimed
CN-1223546-A Antimicrobial therapy for herpes simplex virus and other infectious diseases MERYL SQUIRES (US) 1999-07-21 CN claimed
CN-110475474-A Compound and application method SIGNUM BIOSCIENCES INC 2019-11-19 CN disclosed
CN-109963547-A Deodorant comprising salts of carboxylic acids and aluminium chlorohydrate 奇华顿股份有限公司 2019-07-02 CN disclosed
CN-1072935-A The method for preparing aqueous dispersions ROHM & HAAS (US) 1993-06-09 CN disclosed
CN-1031325-A The Topically active compositions of double stranded RNAS HEM RES INC (US) 1989-03-01 CN disclosed