SCHEMBL2203682

SCHEMBL2203682

CC(C)(C)OC(=O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 6/20 0.50
DAO P14920 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.49
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.47
HPGD P15428 2/20 0.46
PLA2G1B P04054 1/20 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
SCHEMBL14799190 0.82 NPC1 (0.56) MAPTSMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL10919924 0.81 CES2 (0.59) CES2CES1MAPTSMN1; SMN2KMT2A
SCHEMBL3997033 0.81 CES2 (0.52) CES2CES1MAPTSMN1; SMN2KMT2A
SCHEMBL31757987 0.80 ALDH1A1 (0.52) MAPTSMN1; SMN2KMT2AL3MBTL1TSHR
SCHEMBL497126 0.78
SCHEMBL28738208 0.78 KMT2A (0.67) CES2CES1MAPTSMN1; SMN2KMT2A
SCHEMBL1200128 0.78 ERCC5 (0.54) CES2CES1MAPTSMN1; SMN2KMT2A
Methoxymethane SCHEMBL28663658 0.77 KMT2A (0.45) CES2CES1MAPTSMN1; SMN2KMT2A
SCHEMBL7647867 0.77 CES2 (0.62) CES2CES1MAPTSMN1; SMN2KMT2A
SCHEMBL3268211 0.77 CES2 (0.62) CES2CES1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530014-A 2-oxo-1,2-dihydrobenzo[cd] indole-6-sulfamide compound and composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2015-04-22 CN claimed
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
CN-115677831-A Peptidomimetic STAT degradation drug, composition and application 杭州和正医药有限公司 2023-02-03 CN disclosed
CN-115087658-A Sulfonamide or sulfenamide compounds having BRD 4-inducing proteolytic activity, and pharmaceutical use thereof 田边三菱制药株式会社 2022-09-20 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed
CN-106459055-B Difunctional cytotoxic drug agent PFIZER INC. (US) 2019-11-01 CN disclosed
CN-106928252-B A kind of compound and the preparation method and application thereof inhibiting ROCK 成都先导药物开发股份有限公司 2019-09-27 CN disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
CN-1155558-C N-alkoxyalkyl-N, N-dialkylamine derivatives or salts thereof, and therapeutic agents for neurodegenerative diseases containing the same ��ɽ��ѧ��ҵ��ʽ���� 2004-06-30 CN disclosed
CN-1489589-A Novel carbapenem compounds ס����ҩ��ʽ���� 2004-04-14 CN disclosed
CN-1476429-A EP4 receptor selective agonists in treatment of osteoporosis �Ʒ� 2004-02-18 CN disclosed
CN-1358169-A N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO LTD (JP) 2002-07-10 CN disclosed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN disclosed
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 EP disclosed
US-5688800-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1997-11-18 US disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
CN-1070402-A The pyrimidine derivatives of condensation EISAI CO LTD (JP) 1993-03-31 CN disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed