SCHEMBL22325445

SCHEMBL22325445

NC(=O)OCCCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
TSHR P16473 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR1A P08908 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL28416686 0.92 LMNA (0.39) PRSS1PRSS2PRSS3LMNACHRM2
SCHEMBL11581319 0.84 ALDH1A1 (0.34) PRSS1PRSS2PRSS3TSHRALDH1A1
SCHEMBL11578012 0.84 ALDH1A1 (0.34) PRSS1PRSS2PRSS3TSHRALDH1A1
SCHEMBL16337241 0.84
Urethane SCHEMBL1054272 0.83 ALOX15 (0.56) PRSS1PRSS2PRSS3LMNACHRM2
SCHEMBL10481941 0.82 TSHR (0.34) PRSS1PRSS2PRSS3TSHRALDH1A1
Urethane SCHEMBL28162966 0.81 ALOX15 (0.54) PRSS1PRSS2PRSS3LMNACHRM2
Urea SCHEMBL28190921 0.81 MIF (0.36) LMNACHRM2CHRM4CHRM1ALDH1A1
Urea SCHEMBL20421999 0.81 MIF (0.36) LMNACHRM2CHRM4CHRM1ALDH1A1
SCHEMBL15976532 0.81 ALDH1A1 (0.47) PRSS1PRSS2PRSS3LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430828-A 3D biological printing hydrogel based on silk fibroin-gelatin, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2024-01-23 CN claimed
CN-109415514-A Polysiloxane-based aerogels 汉高股份有限及两合公司 2019-03-01 CN claimed
CN-117430828-A 3D biological printing hydrogel based on silk fibroin-gelatin, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2024-01-23 CN disclosed
CN-117430828-A 3D biological printing hydrogel based on silk fibroin-gelatin, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2024-01-23 CN disclosed
EP-3921352-A1 BISMUTH-CONTAINING CATALYST COMPRISING AT LEAST ONE AROMATIC SUBSTITUENT BASF Coatings GmbH (DE) 2021-12-15 EP disclosed
CN-113383026-A Bismuth-containing catalysts comprising at least one aromatic substituent 巴斯夫涂料有限公司 2021-09-10 CN disclosed
CN-112867746-A Dual dynamic polymers 国家科学研究中心 2021-05-28 CN disclosed
WO-2020160939-A1 BISMUTH-CONTAINING CATALYST COMPRISING AT LEAST ONE AROMATIC SUBSTITUENT BASF SE (DE) 2020-08-13 WO disclosed
CN-102667934-A Fluorourethanes as Additives in Photopolymer Formulations BAYER MATERIALSCIENCE AG 2012-09-12 CN disclosed