SCHEMBL3292760

SCHEMBL3292760

COc1cc(OC(C)=O)ccc1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.51
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51

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
SCHEMBL29136541 0.90 ALDH1A1 (0.71) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL3829716 0.89 KDM4E (0.59) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL29136540 0.88 ALDH1A1 (0.73) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL31074934 0.87 CYP1A1 (0.57) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL29136539 0.87 CYP1A1 (0.53) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL9055047 0.86 ALDH1A1 (0.71) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL96291 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL9469778 0.83 CYP1A1 (0.62) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL9469775 0.83 CYP1A1 (0.62) ALDH1A1CYP1A1CYP1B1MAPTMEN1
SCHEMBL3633730 0.83 ALDH1A1 (0.71) ALDH1A1CYP1A1CYP1B1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876541-B Solid-phase synthesis method of degarelix 深圳翰宇药业股份有限公司 2023-02-28 CN claimed
WO-2021103458-A1 SOLID-PHASE SYNTHESIS METHOD FOR DEGARELIX 深圳翰宇药业股份有限公司 2021-06-03 WO claimed
CN-112876541-A Solid-phase synthesis method of degarelix 深圳翰宇药业股份有限公司 2021-06-01 CN claimed
CN-117362164-A Photoresist monomer compound and preparation method and application thereof 中节能万润股份有限公司 2024-01-09 CN disclosed
CN-112876541-B Solid-phase synthesis method of degarelix 深圳翰宇药业股份有限公司 2023-02-28 CN disclosed
WO-2021103458-A1 SOLID-PHASE SYNTHESIS METHOD FOR DEGARELIX 深圳翰宇药业股份有限公司 2021-06-03 WO disclosed
CN-112876541-A Solid-phase synthesis method of degarelix 深圳翰宇药业股份有限公司 2021-06-01 CN disclosed
CN-102557903-B Preparation method of 4-hydroxyl-2-methoxybenzaldehyde ZHEJIANG LONGHUA FINE CHEMICAL CO LTD 2014-03-12 CN disclosed
CN-102557903-A Preparation method of 4-hydroxyl-2-methoxybenzaldehyde ZHEJIANG LONGHUA FINE CHEMICAL CO LTD 2012-07-11 CN disclosed
US-7723013-B2 Negative-acting photolithographic printing plate with improved pre-burn performance SOUTHERN LITHOPLATE, INC. (US) 2010-05-25 US disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
US-6255033-B1 ACETALIZATION OF A PARTIALLY HYDROLYZED POLYVINYL ACETATE WITH A MIXTURE OF AN ACYCLIC ALDEHYDE AND AN AROMATIC ALDEHYDE CREO, LTD. (IL) 2001-07-03 US disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
EP-0689845-A2 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID COMPANY (US) 1996-01-03 EP disclosed