SCHEMBL1509700

SCHEMBL1509700

CCC(C)CCC(=O)CCC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
TSHR P16473 3/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 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
SCHEMBL11069921 0.93 TSHR (0.40) TSHRTDP1MAPTCA2ACE2
SCHEMBL8109796 0.90 TDP1 (0.43) CA1TSHRGABRPGABRDGABRA1
SCHEMBL26103453 0.89 ALDH1A1 (0.44) CA1TSHRMAPTCA2ACE2
SCHEMBL11458698 0.85 FAAH (0.37) CA1TSHR
SCHEMBL31352041 0.85 KMT2A (0.55) TSHRMAPTKMT2AMAPK1
SCHEMBL6859853 0.85 KMT2A (0.55) TSHRMAPTKMT2AMAPK1
SCHEMBL11562207 0.84 MAPT (0.38) CA1MAPTCA2ACE2KMT2A
SCHEMBL19985649 0.84
SCHEMBL276695 0.84
SCHEMBL1199397 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191592-A A kind of method that micro passage reaction carries out aldol reaction 大连韦德生化科技有限公司 2018-06-22 CN claimed
CN-1425037-A Liquid antiozonants and rubber compositions containing them UNIROYAL CHEM CO INC (US) 2003-06-18 CN claimed
CN-113917785-A Method for forming multilayer structure and semiconductor device for lithography patterning 台湾积体电路制造股份有限公司 2022-01-11 CN disclosed
CN-208066151-U A kind of bi-membrane method extracts the device of drug products in organic solution 南京九思高科技有限公司 2018-11-09 CN disclosed
CN-108191592-A A kind of method that micro passage reaction carries out aldol reaction 大连韦德生化科技有限公司 2018-06-22 CN disclosed
CN-108136803-A Electrocondution slurry and the method for printing it 埃克阿泰克有限责任公司 2018-06-08 CN disclosed
CN-107837682-A The device and method of drug products in a kind of bi-membrane method extraction organic solution 南京九思高科技有限公司 2018-03-27 CN disclosed
CN-104105730-B Method for producing cured coating film, optical film, and method for producing thin film molded body DIC株式会社 2016-08-24 CN disclosed
CN-102455597-B X-ray sensitive resin composition, cured film and forming method thereof, liquid crystal display cells array base palte and forming method thereof JSR株式会社 2016-06-29 CN disclosed
CN-103547608-B Polymerizable composition MITSUI CHEMICALS, INC. (JP) 2016-04-13 CN disclosed
CN-103298338-B Comprise the agrochemical formulation of encapsulating agricultural chemicals BASF SE (DE) 2016-02-10 CN disclosed
CN-1962635-A Indoles compound preparation method UNIV ZHEJIANG TECHNOLOGY (CN) 2007-05-16 CN disclosed
CN-1894629-A Photosensitive composition remover SHOWA DENKO KK (JP) 2007-01-10 CN disclosed
CN-1425037-A Liquid antiozonants and rubber compositions containing them UNIROYAL CHEM CO INC (US) 2003-06-18 CN disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
CN-1026218-C Process for reduction of refined catalytic before use EURPOEENNE DE RETRAITEMENT DE (FR) 1994-10-19 CN disclosed
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed
US-4134889-A Manufacture of glycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4097521-A Manufacture of amidosulfonic acids BASF AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed