SCHEMBL6259052

SCHEMBL6259052

CCOC(=O)C(CCC(=O)O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
TDP1 Q9NUW8 2/20 0.40
FOLH1 Q04609 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL2818593 0.90 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11124032 0.87 FFAR4 (0.44) TDP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3762538 0.86 ALDH1A1 (0.41) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1201909 0.84 L3MBTL1 (0.51) TDP1ALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL3010250 0.81 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL28576166 0.81 L3MBTL1 (0.45) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL516386 0.80 FOLH1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL482827 0.79 TDP1 (0.46) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1406252 0.79 ALDH1A1 (0.42) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL6664974 0.78 L3MBTL1 (0.39) TDP1ALDH1A1LMNAHSD17B10MEN1

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-109810044-A A kind of compound and its preparation and application with HIV-1 integrase inhibiting activities 贵州医科大学 2019-05-28 CN claimed
CN-109810044-A A kind of compound and its preparation and application with HIV-1 integrase inhibiting activities 贵州医科大学 2019-05-28 CN disclosed
CN-100384889-C Polymerization of olefins DU PONT (US) 2008-04-30 CN disclosed
CN-100372851-C Fused pyrimidine derivatives with CRF activity HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
CN-1784409-A Fused pyrimidine derivatives with CRF activity HOFFMANN LA ROCHE (CH) 2006-06-07 CN disclosed
EP-1085016-B1 HETEROCYCLE-BEARING THIO PHENOL COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF THE SAME AND PROCESSES FOR THE PREPARATION OF BOTH NIPPON SODA CO (JP) 2005-11-02 EP disclosed
CN-1199963-C Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2005-05-04 CN disclosed
CN-1440399-A Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2003-09-03 CN disclosed
CN-1115337-C Pyrimidinone derivs. BORYUNG PHARM (KR) 2003-07-23 CN disclosed
US-6359143-B1 CHEMICAL INTERMEDIATE; HERBICIDES NIPPON SODA CO., LTD. (JP) 2002-03-19 US disclosed
EP-1085016-A1 HETEROCYCLE-BEARING THIO PHENOL COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF THE SAME AND PROCESSES FOR THE PREPARATION OF BOTH NIPPON SODA CO., LTD. (JP) 2001-03-21 EP disclosed
CN-1243519-A Olefin polymerization DU PONT (US) 2000-02-02 CN disclosed
CN-1160395-A Pyrimidone derivatives BORYUNG PHARM (KR) 1997-09-24 CN disclosed
US-5358989-A Compositions of polyphenylene oxide or mixtures of polyphenylene oxide with β-diketones ENICHEM S.P.A. (IT) 1994-10-25 US disclosed
US-5194476-A And blends of homo- or copolymers of styrene; heat resistance, fluidity; medical equipment, electronics ECP ENICHEM POLIMERI S.R.L. (IT) 1993-03-16 US disclosed
EP-0480383-A2 Polyphenylene oxide compositions stabilized with beta-diketones ENICHEM S.p.A. (IT) 1992-04-15 EP disclosed
US-4480106-A ANTIINFLAMMATORY AGENTS, ANALGESICS, LIGHT STABILIZERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed