SCHEMBL4784032

SCHEMBL4784032

COc1ccc(N(Cc2ccc(O)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 1/20 0.41
▸ TSHR P16473 6/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ PDK1 Q15118 2/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSPO P30536 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.35

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
SCHEMBL28069712 0.93 FABP5 (0.45) FABP5TSHRHTTKMT2AMEN1
SCHEMBL208874 0.92 FABP5 (0.41) FABP5TSHRHTTKMT2AMEN1
SCHEMBL1526171 0.91 FABP5 (0.40) FABP5TSHRHTTKMT2AMEN1
SCHEMBL5259956 0.91 TSHR (0.37) FABP5TSHRHTTPDK1KMT2A
SCHEMBL6298094 0.91 FABP5 (0.42) FABP5TSHRHTTKMT2AMEN1
SCHEMBL5372417 0.90 FABP5 (0.39) FABP5TSHRHTTKMT2AMEN1
SCHEMBL5670740 0.89 FABP5 (0.39) FABP5TSHRHTTKMT2AMEN1
SCHEMBL3433024 0.88 HSD17B10 (0.39) FABP5TSHRHTTKMT2AMEN1
SCHEMBL4841403 0.87 NPC1 (0.42) FABP5TSHRKMT2AMEN1GPR55
SCHEMBL2637405 0.87 FABP5 (0.39) FABP5KMT2AMEN1TDP1TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779150-A The Preparation Method And Their Intermediate of Ac-D-2Nal-D-4Cpa-D-3Pal-Ser-4Aph(Hor)-D-4Aph(Cbm)-Leu-Lys(iPr)-Pro-D-Ala-NH2 费森尤斯卡比依普莎姆责任有限公司 2018-11-09 — — CN disclosed
CN-107602620-A Novel iridium base complex for ECL 霍夫曼-拉罗奇有限公司 2018-01-19 — — CN disclosed
CN-104718218-B Novel iridium basigamy compound for ECL 霍夫曼-拉罗奇有限公司 2017-10-24 — — CN disclosed
CN-104797587-B Novel iridium-based complexes for ECL 霍夫曼-拉罗奇有限公司 2017-10-10 — — CN disclosed
CN-104797587-A Novel iridium-based complexes for ECL ROCHE DIAGNOSTICS GMBH 2015-07-22 — — CN disclosed
CN-104718218-A New iridium-based complexes for ECL ROCHE DIAGNOSTICS GMBH 2015-06-17 — — CN disclosed
CN-103003301-A Serum albumin binding molecules BRISTOL MYERS SQUIBB CO 2013-03-27 — — CN disclosed
CN-102223898-A Peptides for treatment of obesity NOVO NORDISK AS 2011-10-19 — — CN disclosed
WO-2008054881-A9 ANTIBACTERIAL AND PLASMID ELIMINATION AGENTS PENN STATE RES FOUND (US) 2009-06-04 — — WO disclosed
WO-2008054881-A2 ANTIBACTERIAL AND PLASMID ELIMINATION AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2008-05-08 — — WO disclosed
US-6353112-B1 3-PHENYL-2,3-DIHYDROBENZO(D)ISOTHAIZOLES 1,1-DIOXIDES; DEPROTONATING THE NITROGEN AND LITHIATING THE ORTHO-POSITION OF AN ARYL SULFONAMIDE IN A RESIN-BOUND SECONDARY SULFONAMIDE; ALKYLATING WITH A KETONE OR ALDEHYDE; CYCLIZATION THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-03-05 — — US disclosed
US-5807979-A GENETIC ENGINEERING; HYBRIDS POLYPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1998-09-15 — — US disclosed
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