SCHEMBL8670951

SCHEMBL8670951

C=CCOC(=O)COCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 5/20 0.52
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 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
SCHEMBL11357983 0.98 TDP1 (0.59) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL3430807 0.87 TDP1 (0.63) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL5873282 0.85 TDP1 (0.61) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL19296598 0.84 TDP1 (0.67) TDP1TSHRALDH1A1KDM4EHPGD
Ether SCHEMBL7144070 0.83 TSHR (0.52) TDP1TSHRALDH1A1HPGDHSD17B10
SCHEMBL1471358 0.83 TDP1 (0.51) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL8063306 0.83 TDP1 (0.59) TDP1TSHRALDH1A1KDM4EHPGD
Ether SCHEMBL9617742 0.82 TSHR (0.50) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL8946360 0.81 TDP1 (0.63) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL27683153 0.80 TSHR (0.58) TDP1TSHRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN claimed
CN-101798267-A Production method of cyclohexyloxy allyl acetate ZHEJIANG XINHUA CHEMICAL CO LTD 2010-08-11 CN claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
CN-104672089-B 3- (hexamethylene -1- alkene -1- base) propionic ester and its application in spice composition 国际香料和香精公司 2019-10-15 CN disclosed
CN-105900980-B Flying pest repellent product and flying pest repellent method 大日本除虫菊株式会社 2018-08-24 CN disclosed
CN-107915627-A The method of \" one kettle way \" synthesizing cyclohexane 1 ethoxyacetic acid allyl ester 昆山亚香香料股份有限公司 2018-04-17 CN disclosed
CN-107915627-A The method of \" one kettle way \" synthesizing cyclohexane 1 ethoxyacetic acid allyl ester 昆山亚香香料股份有限公司 2018-04-17 CN disclosed
CN-102845416-A Aromatic insect-preventing vermifuge DAINIHON JOCHUGIKU COMPANY LTD 2013-01-02 CN disclosed
CN-101798267-A Production method of cyclohexyloxy allyl acetate ZHEJIANG XINHUA CHEMICAL CO LTD 2010-08-11 CN disclosed
CN-1930140-A Trisubstituted furans suitable for the preparation of fragrance compositions GIVAUDAN SA (CH) 2007-03-14 CN disclosed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP disclosed
EP-0867503-A2 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1998-09-30 EP disclosed
EP-0622451-A1 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1994-11-02 EP disclosed
US-4323688-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-04-06 US disclosed