SCHEMBL4160276

SCHEMBL4160276

CC(C)CCCC(=O)OCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
CYP19A1 P11511 1/20 0.46
CA1 P00915 3/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTPN1 P18031 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL249563 0.93 DGKA (0.54) DGKACYP19A1CA1CA12CA2
SCHEMBL14672499 0.93 DGKA (0.48) DGKACYP19A1CA1CA12CA2
SCHEMBL17581567 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL2396758 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL17581560 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL2397279 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL28449408 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL28449406 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL17581578 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1
SCHEMBL17581554 0.92 DGKA (0.53) DGKACYP19A1TDP1MAPTDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017949-A1 LIGNOCELLULOSIC BIOMASS REFINERY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-01-25 WO disclosed
CN-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed
CN-103772231-B Compounds, its synthetic method and therepic use GILEAD SCIENCES INC. (US) 2016-02-03 CN disclosed
CN-102952033-A Novel compound, composing method thereof and therapeutic use therefor GILEAD SCIENCES INC (US) 2013-03-06 CN disclosed
CN-101243096-B Antiviral compounds GILEAD SCIENCES INC 2013-02-06 CN disclosed
CN-101172957-B Novel compound, synthetic method thereof and therapeutic usage GILEAD SCIENCES INC (US) 2012-11-14 CN disclosed
CN-102532198-A Antiviral phosphinate compounds GILEAD SCIENCES INC 2012-07-04 CN disclosed
CN-102216325-A Method for purifying human growth hormone polypeptides using affinity resins comprising specific ligands NOVO NORDISK AS 2011-10-12 CN disclosed
US-20090224205-A1 Odorant for hydrogen based on acrylate and amyl acetate SYMRISE GMBH & CO. KG (DE) 2009-09-10 US disclosed
CN-101489564-A Antiviral phosphinate compounds GILEAD SCIENCES INC (US) 2009-07-22 CN disclosed
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN disclosed
WO-2006067115-A1 ODORANT FOR HYDROGEN BASED ON ACRYLATE AND AMYL ACETATE SYMRISE GMBH & CO. KG (DE) 2006-06-29 WO disclosed
CN-1733707-A Compounds and methods for synthesis and therapy GILEAD SCIENCES INC (US) 2006-02-15 CN disclosed
CN-1656109-A Non-nucleoside reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2005-08-17 CN disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
CN-1185223-C Novel compounds, their synthesis and therapeutic use GILEAD SCIENCES INC (US) 2005-01-19 CN disclosed
CN-1347693-A Novel compounds, their synthesis and therapeutic use GILEAD SCIENCES INC (US) 2002-05-08 CN disclosed
CN-1272105-A Compound containing six-membered rings, processes for their preparation, and their use as medicaments GILEAD SCIENCES INC (US) 2000-11-01 CN disclosed
CN-1238762-A Piperidine compounds GILEAD SCIENCES INC (US) 1999-12-15 CN disclosed
CN-1147813-A Novel compounds, their synthesis and therapeutic use GILEAD SCIENCES INC (US) 1997-04-16 CN disclosed