SCHEMBL3968014

SCHEMBL3968014

N#CC(OC(C#N)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PBRM1 Q86U86 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL21114422 1.00 TSHR (0.50) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL28792130 0.87 TRPA1 (0.43) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL1201089 0.87 TRPA1 (0.43) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL4437005 0.87 TSHR (0.43) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL27854889 0.87 TSHR (0.43) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL12919553 0.85 TSHR (0.52) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL3685810 0.85 TRPA1 (0.52) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL27539710 0.83 TSHR (0.48) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL2162532 0.83 TSHR (0.48) TSHRTRPA1ALDH1A1HTTL3MBTL1
SCHEMBL198464 0.81 TSHR (0.46) TSHRTRPA1ALDH1A1SMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-101899026-B Intermediates for the preparation of analogs of halichondrin B 卫材R&D管理有限公司 2016-08-03 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-110088113-A Composition and method for phosphoramidite and oligonucleotide synthesis 波涛生命科学有限公司 2019-08-02 CN disclosed
CN-110023308-A N-ACYLETHANOLAMIDE DERIVATIVES AND USES THEREOF 卡诺有限责任公司 2019-07-16 CN disclosed
CN-109563131-A Chiral peptide 卡诺有限责任公司 2019-04-02 CN disclosed
CN-109563515-A Compound and the method for adjusting RNA function 阿拉基斯医疗公司 2019-04-02 CN disclosed
CN-109180615-A Intermediates for the preparation of analogs of halichondrin B 卫材R&D管理有限公司 2019-01-11 CN disclosed
CN-108997267-A Intermediates for the preparation of analogs of halichondrin B 卫材R&D管理有限公司 2018-12-14 CN disclosed
CN-108778345-A Compounds and methods for treating RNA-mediated diseases 阿拉基斯医疗公司 2018-11-09 CN disclosed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US disclosed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US disclosed
EP-0111955-B1 PROSTAGLANDIN INTERMEDIATES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-09-17 EP disclosed
US-4596823-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-06-24 US disclosed
EP-0043292-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-15 EP disclosed
EP-0111955-A1 Prostaglandin intermediates NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-06-27 EP disclosed
WO-1982000142-A1 PROSTAGLANDINS JONES R 1982-01-21 WO disclosed
EP-0043292-A2 Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-01-06 EP disclosed