SCHEMBL3500644

SCHEMBL3500644

CCc1cc(O)ccc1C(=O)c1ccc(O)cc1CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.55
HSP90AB1 P08238 1/20 0.52
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CES2 O00748 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SERPINE1 P05121 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL11017492 0.91 HSD17B1 (0.47) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL11160369 0.88 HSD17B1 (0.53) HSD17B1HSP90AB1HTTALDH1A1NPC1
SCHEMBL10656575 0.87 CES2 (0.56) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL10454859 0.86 PTPN1 (0.47) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL27302332 0.85 MEN1 (0.64) HSD17B1HTTALDH1A1NPC1RAB9A
SCHEMBL8271835 0.85 HSD17B1 (0.73) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL39010 0.85 CA12 (0.57) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL28126806 0.85 CA12 (0.57) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL3873135 0.83 CA12 (0.55) HSD17B1HSP90AB1CA12CA1CA2
SCHEMBL11754806 0.83 HSD17B1 (0.51) HSD17B1HSP90AB1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109082135-A High-strength composite packaging material and preparation method thereof 合肥帧讯低温科技有限公司 2018-12-25 CN claimed
CN-107903348-A A kind of preparation method of polyethylene glycol grafting polymethyl methacrylate amphipathic graft copolymer 常州大学 2018-04-13 CN claimed
CN-104876827-A Synthetic method for methyl synephrine LI YUSHAN 2015-09-02 CN claimed
CN-104876828-A Method for synthesizing synephrine, its hydrochloride and tartrate LI YUSHAN 2015-09-02 CN claimed
CN-103723702-B Preparation method of porous composite material and carbon material UNIV TAIYUAN TECHNOLOGY 2015-06-17 CN claimed
CN-103359704-B Method for preparing porous carbon composite material by utilizing silk screen as framework UNIV TAIYUAN TECHNOLOGY 2015-05-20 CN claimed
CN-104370727-A Method for synthesizing p-hydroxypropiophenone UNIV ZHEJIANG SCIENCE & TECH 2015-02-25 CN claimed
CN-103723702-A Preparation method of porous composite material and carbon material UNIV TAIYUAN TECHNOLOGY 2014-04-16 CN claimed
CN-103667371-A Biological production method of tanshinol UNIV TIANJIN 2014-03-26 CN claimed
CN-103359704-A Method for preparing porous carbon composite material by utilizing silk screen as framework UNIV TAIYUAN TECHNOLOGY 2013-10-23 CN claimed
CN-101239917-B Method for preparing ritodrine hydrochloride and intermediate thereof Suzhou lixin pharmaceutical co ltd 2011-05-04 CN claimed
CN-101239917-A Method for preparing ritodrine hydrochloride and intermediate thereof SUZHOU LIXIN PHARMACEUTICAL CO (CN) 2008-08-13 CN claimed
CN-1308271-C Preparation method of liquid crystal chemicals 4-propyl cyclohexyl benzene NANJING GAOHENG FINE CHEMICALS (CN) 2007-04-04 CN claimed
CN-1807372-A Preparation method of liquid crystal chemicals 4-propyl cyclohexyl benzene NANJING GAOHENG FINE CHEMICALS (CN) 2006-07-26 CN claimed
CN-1223688-A Plant genes for p-hydroxyphenylpyruvate dioxygenase DU PONT (US) 1999-07-21 CN claimed
CN-110157746-A A kind of method of Microbe synthesis auximone 赣南师范大学 2019-08-23 CN disclosed
CN-106632228-B A kind of preparation method of dihydrosafrole 成都建中香料香精有限公司 2019-07-02 CN disclosed
CN-1223688-A Plant genes for p-hydroxyphenylpyruvate dioxygenase DU PONT (US) 1999-07-21 CN disclosed
CN-1096374-A Cancer-revealing agent DENG YUNZONG (CN) 1994-12-14 CN disclosed
EP-0349648-A1 POLYHYDROXY POLYETHERS, PROCESS FOR THEIR PRODUCTION AND THEIR USES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-10 EP disclosed