SCHEMBL28029433

SCHEMBL28029433

CCCCCCCCOC(=O)c1cccc(-c2ccccc2)c1C(=O)OCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 4/20 0.67
LMNA P02545 2/20 0.67
CYP3A4 P08684 2/20 0.64
MAPK1 P28482 2/20 0.64
TP53 P04637 1/20 0.64
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
CNR2 P34972 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTPN11 Q06124 2/20 0.48
FAAH O00519 1/20 0.47
CHRM2 P08172 2/20 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
SCHEMBL6399743 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3264094 0.99 TSHR (0.66) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27364778 0.95 TSHR (0.65) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6399746 0.94 ALDH1A1 (0.65) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9587930 0.92 ALDH1A1 (0.73) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28161619 0.90 TSHR (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5975125 0.89 ALDH1A1 (0.74) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5975366 0.89 ALDH1A1 (0.74) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28754871 0.89 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
Biphenyl SCHEMBL10955049 0.88 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111406745-B Plant-source attractant for ips typographus and lure core as well as preparation method and application thereof 中国林业科学研究院森林生态环境与保护研究所 2021-11-02 CN claimed
CN-111406745-A Plant-source attractant for ips typographus and lure core as well as preparation method and application thereof 中国林业科学研究院森林生态环境与保护研究所 2020-07-14 CN claimed
CN-104814009-B Larch bark bcetle worm repellant and lure and preparation method thereof 中国林业科学研究院森林生态环境与保护研究所 2018-10-19 CN claimed
CN-104814009-A Repellent and lure for Ips subelongatus Motschulsky and preparation methods thereof INST FOREST ECOLOGY ENVIRONMENT & PROT CAF 2015-08-05 CN claimed
CN-115176803-A Ips typographus attractant and application thereof, attracting core and preparation method and application thereof 青海省森林病虫害防治检疫总站((青海省野生动物疫源疫病监测总站)) 2022-10-14 CN disclosed
CN-110999918-B Application of S- (-) -bark beetle enol in attracting tianshan heavy-toothed bark beetle, attractant, attracting core and application 中国林业科学研究院森林生态环境与保护研究所 2021-06-08 CN disclosed
CN-111165490-B Application of information chemical substance in repelling ips typographus and repellent slow-release bag and application thereof 中国林业科学研究院森林生态环境与保护研究所 2021-06-08 CN disclosed
CN-111165490-A Application of information chemical substance in repelling ips typographus and repellent slow-release bag and application thereof 中国林业科学研究院森林生态环境与保护研究所 2020-05-19 CN disclosed
CN-110999918-A Application of S- (-) -bark beetle enol in attracting tianshan heavy-toothed bark beetle, attractant, attracting core and application 中国林业科学研究院森林生态环境与保护研究所 2020-04-14 CN disclosed
CN-104814009-B Larch bark bcetle worm repellant and lure and preparation method thereof 中国林业科学研究院森林生态环境与保护研究所 2018-10-19 CN disclosed
CN-106810956-A A kind of processing method of multifunction environment-protection type polyvinyl chloride composite material for decoration 周子童 2017-06-09 CN disclosed
CN-104814009-A Repellent and lure for Ips subelongatus Motschulsky and preparation methods thereof INST FOREST ECOLOGY ENVIRONMENT & PROT CAF 2015-08-05 CN disclosed