SCHEMBL8394

SCHEMBL8394

COc1cc(CO[C]=O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TUBB1 Q9H4B7 4/20 0.46
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46

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
SCHEMBL28202170 0.80 CA1 (0.52) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL8604 0.79 CA2 (0.57) CYP3A4MAPTABCB1CYP19A1AOC3
SCHEMBL7961363 0.77 PTGS2 (0.64) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL7959757 0.77 PTGS2 (0.64) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL911288 0.76 PTGS2 (0.57) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL8853 0.76 ALDH1A1 (0.46) PTGS2ABCB1CYP19A1
SCHEMBL7744202 0.75 ACHE (0.38) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6995298 0.75 CYP1A2 (0.54) PTGS2CYP3A4MAPTTUBB1TUBB4A
SCHEMBL11841088 0.74 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL7959754 0.74 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BCYP3A4

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

Appears in 2656 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US claimed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US claimed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US claimed
US-6677372-B2 N-(3-benzofuranyl)urea-derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US claimed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 EP claimed
US-5679797-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-10-21 US claimed
US-5646121-A CYTOMEGALOVIRUSES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US claimed
US-5633231-A CYTOMEGALOVIRUS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-27 US claimed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
CN-118355015-A N- (5-substituted- [ (1, 3, 4-thiadiazole) or (thiazolyl) ]) (substituted) carboxamide compounds for inhibiting human polymerase θ and uses thereof 修复治疗公司 2024-07-16 CN disclosed
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed
WO-2024148257-A1 MDM2 TARGETING PROTACS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2024-07-11 WO disclosed
US-4371531-A OXIME-SUBSTITUTED ANTIBIOTICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-02-01 US disclosed
US-4242510-A Cephalosporin compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US disclosed
EP-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 EP disclosed