SCHEMBL6540138

SCHEMBL6540138

CCCCOC(=O)c1ccccc1[C]=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.73
TDP1 Q9NUW8 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
MAPK1 P28482 3/20 0.66
CYP3A4 P08684 3/20 0.66
TP53 P04637 1/20 0.66
ALDH1A1 P00352 6/20 0.64
LMNA P02545 3/20 0.64
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ESR1 P03372 1/20 0.47
CYP2D6 P10635 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
CYP2C9 P11712 1/20 0.46
PDE4D Q08499 1/20 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
SCHEMBL9099048 0.95 TSHR (0.73) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL9101149 0.94 ALDH1A1 (0.74) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL10472954 0.94 ALDH1A1 (0.74) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6538903 0.90 ALDH1A1 (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL22690890 0.86 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL9277021 0.86 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL4596231 0.85 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL29353340 0.85 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL2330224 0.85 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL24051 0.85 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075320-B Pressure-sensitive adhesive film 理研科技株式会社 2019-11-26 CN disclosed
CN-106019847-A Photosensitive polysiloxane composition, protective film and element with protective film 奇美实业股份有限公司 2016-10-12 CN disclosed
CN-102668046-B Semiconductor element substrate ZEON CORP 2014-12-10 CN disclosed
CN-104183854-A METHOD FOR PRODUCING CARBONITRIDE MIXTURE PARTICLE OR OXYCARBONITRIDE MIXTURE PARTICLE, AND USE THEREOF SHOWA DENKO KK 2014-12-03 CN disclosed
CN-102171137-B Method for producing carbonitride mixture particles or carbonitride mixture particles, and use thereof SHOWA DENKO KK 2014-09-03 CN disclosed
CN-102076774-B Radiation-sensitive resin composition, laminate and method for producing the same, and semiconductor device ZEON CORP 2014-07-09 CN disclosed
CN-102292856-B Lithium ion battery NEC ENERGY DEVICES LTD 2014-04-09 CN disclosed
CN-102365303-B Polymer, hydride of polymer, resin composition, resin film, and electronic component ZEON CORP 2014-02-26 CN disclosed
CN-103562796-A Resin composition and semiconductor element substrate ZEON CORP 2014-02-05 CN disclosed
CN-103443707-A Resin composition and semiconductor element substrate ZEON CORP 2013-12-11 CN disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed