SCHEMBL6907553

SCHEMBL6907553

COC1(OC)Oc2ccccc2CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.36
MAOA P21397 10/20 0.36
MAOB P27338 10/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP2C9 P11712 4/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL3283381 0.76 NFKB1 (0.39) KDM1AMAOAMAOBNFKB1NFKB2
SCHEMBL29615809 0.76 NFKB1 (0.39) KDM1AMAOAMAOBNFKB1NFKB2
SCHEMBL28942665 0.74 MAOB (0.40) KDM1AMAOAMAOBNFKB1NFKB2
SCHEMBL29008599 0.72 MAOB (0.38) KDM1AMAOAMAOBNFKB1NFKB2
SCHEMBL3129322 0.69 SIGMAR1 (0.33) CYP2C9
SCHEMBL1820342 0.68 PTPN1 (0.36) MAOAMAOBNFKB1GABRA1GABRB2
SCHEMBL8887073 0.68 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL18825570 0.66 PTPN1 (0.39) MAOANFKB1GABRA1GABRB2KDM4E
SCHEMBL30728429 0.65 GABRA1 (0.52) GABRA1GABRB2KDM4EALDH1A1HSP90AB1
SCHEMBL7317174 0.65 MAPT (0.43) KDM1AMAOAMAOBNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109985055-B Pharmaceutical composition for resisting cerebral ischemia reperfusion injury and application thereof 广州中医药大学(广州中医药研究院) 2021-07-09 CN claimed
CN-102353738-B Method for detecting poison in leguminosae astragalas herbaceos perennial UNIV LANZHOU 2015-04-22 CN claimed
CN-102357092-B Use of flavanone natural product 7, 3'-dyhydroxy-2', 4'-dimethoxy-isoflavane (DDIF) UNIV LANGZHOU 2012-11-28 CN claimed
CN-102357092-A Use of flavanone natural product 7,3'-dyhydroxy-2',4'-dimethoxy-isoflavane (DDIF) UNIV LANZHOU 2012-02-22 CN claimed
CN-102353738-A Method for detecting poison in leguminosae astragalas herbaceos perennial UNIV LANZHOU 2012-02-15 CN claimed
CN-101073592-A Method for separating and extracting Milkvetch Root TIANSHILI PHARM CO LTD (CN) 2007-11-21 CN claimed
CN-115444843-A Application of anthocyanin in preparation of drugs for protecting biological stability of BMSCs (BMSCs) 甘肃中医药大学 2022-12-09 CN disclosed
CN-109985055-B Pharmaceutical composition for resisting cerebral ischemia reperfusion injury and application thereof 广州中医药大学(广州中医药研究院) 2021-07-09 CN disclosed
CN-109985055-B Pharmaceutical composition for resisting cerebral ischemia reperfusion injury and application thereof 广州中医药大学(广州中医药研究院) 2021-07-09 CN disclosed
CN-102353738-B Method for detecting poison in leguminosae astragalas herbaceos perennial UNIV LANZHOU 2015-04-22 CN disclosed
CN-102357092-B Use of flavanone natural product 7, 3'-dyhydroxy-2', 4'-dimethoxy-isoflavane (DDIF) UNIV LANGZHOU 2012-11-28 CN disclosed
CN-102357092-A Use of flavanone natural product 7,3'-dyhydroxy-2',4'-dimethoxy-isoflavane (DDIF) UNIV LANZHOU 2012-02-22 CN disclosed
CN-102353738-A Method for detecting poison in leguminosae astragalas herbaceos perennial UNIV LANZHOU 2012-02-15 CN disclosed
US-6696094-B2 PLANT EXTRACTS; VIRICIDES WU TZU-SHENG (TW) 2004-02-24 US disclosed