SCHEMBL9302864

SCHEMBL9302864

C=C(C(=O)OC(C)(C)CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 2/20 0.53
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ELANE P08246 1/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HIF1A Q16665 2/20 0.37

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
SCHEMBL391036 0.87 TDP1 (0.50) TDP1ATMALDH1A1MAPTCYP2D6
SCHEMBL2137459 0.85 TDP1 (0.41) TDP1ATMALDH1A1MAPTCYP2D6
SCHEMBL3875454 0.82 TDP1 (0.58) TDP1ATMALDH1A1MAPTCYP2D6
Hydrochloric Acid SCHEMBL31332428 0.81 TDP1 (0.57) TDP1ATMALDH1A1MAPTCYP2D6
SCHEMBL2334095 0.79 CYP2D6 (0.41) TDP1ATMALDH1A1MAPTCYP2D6
SCHEMBL444728 0.79 CYP2D6 (0.61) TDP1ALDH1A1MAPTCYP2D6CYP2C19
Hydrogen Peroxide SCHEMBL28730771 0.79 CYP2D6 (0.61) TDP1ALDH1A1MAPTCYP2D6CYP2C19
Carbamic Acid SCHEMBL28106682 0.78 TDP1 (0.54) TDP1ATMALDH1A1MAPTCYP2D6
Water SCHEMBL5946543 0.77 CYP2D6 (0.59) TDP1ALDH1A1MAPTCYP2D6CYP2C19
SCHEMBL316956 0.75 ALDH1A1 (0.69) TDP1ATMALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146610-A ABS (Acrylonitrile butadiene styrene) antibacterial mildew-proof master batch and preparation method and preparation device thereof 上海玉城高分子材料股份有限公司 2024-06-07 CN claimed
CN-115368630-B Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2024-04-09 CN claimed
CN-116814058-A Regenerated transparent polycarbonate material and preparation method thereof 宁波坚锋新材料有限公司 2023-09-29 CN claimed
CN-113583320-B Crosslinkable polyolefin composition, preparation method and application thereof, crosslinked polyolefin and application thereof 国家能源投资集团有限责任公司 2023-09-05 CN claimed
CN-115368630-A Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2022-11-22 CN claimed
CN-113583320-A Crosslinkable polyolefin composition, preparation method and application thereof, crosslinked polyolefin and application thereof 国家能源投资集团有限责任公司 2021-11-02 CN claimed
CN-109294151-B Modified polymeric materials and mixtures for preparing polymeric materials 奕益实业股份有限公司 2021-03-09 CN claimed
CN-115368630-B Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2024-04-09 CN disclosed
CN-116814058-A Regenerated transparent polycarbonate material and preparation method thereof 宁波坚锋新材料有限公司 2023-09-29 CN disclosed
CN-113583320-B Crosslinkable polyolefin composition, preparation method and application thereof, crosslinked polyolefin and application thereof 国家能源投资集团有限责任公司 2023-09-05 CN disclosed
CN-115368630-A Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2022-11-22 CN disclosed
CN-113583320-A Crosslinkable polyolefin composition, preparation method and application thereof, crosslinked polyolefin and application thereof 国家能源投资集团有限责任公司 2021-11-02 CN disclosed
CN-109294151-B Modified polymeric materials and mixtures for preparing polymeric materials 奕益实业股份有限公司 2021-03-09 CN disclosed
US-5338802-A Low temperature conversion of polymerized esters SHELL OIL COMPANY (US) 1994-08-16 US disclosed
EP-0603965-A2 Modified block copolymers and process for the preparation thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-29 EP disclosed
EP-0569100-A1 Polymers having stable anhydride rings SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-11-10 EP disclosed
US-5218053-A Anionically polymerizing conjugated alkadienes or alkenyl aromatics and an unsaturated ester; hydrogenating; heating to cyclize SHELL OIL COMPANY (US) 1993-06-08 US disclosed