SCHEMBL28046836

SCHEMBL28046836

C(OCC1CO1)C1CO1.CC(O)C(C)(O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL27877270 0.85 TSHR (0.64) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1946788 0.85 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Isopropyl Alcohol SCHEMBL27564110 0.85 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL9792620 0.83 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Hexylene Glycol SCHEMBL7156975 0.83 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL15797057 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL9792647 0.81 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Cyclohexane SCHEMBL27838990 0.81 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL27911873 0.81 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL7879438 0.80 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314912-A A kind of UVLED Photocurable compositions and its application in floor coatings 常州格林感光新材料有限公司 2018-07-24 CN claimed
CN-107081118-A Surface is modified self-repairing microcapsule and preparation method thereof 嘉兴中科检测技术服务有限公司 2017-08-22 CN claimed
CN-110144160-A A kind of high solid low surface treatment epoxy zinc rich primer and the preparation method and application thereof 江阴市大阪涂料有限公司 2019-08-20 CN disclosed
CN-109439248-A A kind of high cohesive force high strength grout and preparation method thereof based on water-borne epoxy systems 韶关市合众化工有限公司 2019-03-08 CN disclosed
CN-109054302-A Thermal interfacial material and preparation method thereof 中国科学院深圳先进技术研究院 2018-12-21 CN disclosed
CN-107081118-A Surface is modified self-repairing microcapsule and preparation method thereof 嘉兴中科检测技术服务有限公司 2017-08-22 CN disclosed
CN-106753140-A Electric vehicle motor epoxy adhesive and preparation method thereof 宜兴市普利泰电子材料有限公司 2017-05-31 CN disclosed
CN-103819898-B High temperature resistant cyanate ester resin formula for carbon fiber complex core and preparation method thereof 航天电工集团有限公司 2017-02-01 CN disclosed
CN-104066783-B Fiber reinforced polypropylene resin composition, moulding material and prepreg 东丽株式会社 2016-11-23 CN disclosed
CN-103834140-B A kind of wind blade hand is stuck with paste epoxy-resin systems of repairing use and preparation method thereof EPOXY BAE ELECTRONIC MATERIAL CO., LTD. (CN) 2016-05-04 CN disclosed