SCHEMBL6875188

SCHEMBL6875188

COc1ccc2c(c1)OC(O)(c1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 3/20 0.50
ATM Q13315 2/20 0.50
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 2/20 0.44
RIPK1 Q13546 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
TP53 P04637 1/20 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
SCHEMBL6864752 0.86 MEN1 (0.43) MEN1KMT2AMAPTKDM4ENPSR1
Methyl Alcohol SCHEMBL28796336 0.79 SIGMAR1 (0.42) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL2967626 0.79 MEN1 (0.40) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL1246125 0.79 SIGMAR1 (0.44) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL28400798 0.77 SIGMAR1 (0.43) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL4972696 0.76 CA2 (0.49) MAPTPPARACA2CA5AOPRM1
SCHEMBL31260287 0.76 CA2 (0.49) MAPTPPARACA2CA5AOPRM1
SCHEMBL6643609 0.75 CYP3A4 (0.52) MEN1KMT2AGAAOPRM1OPRL1
SCHEMBL6864756 0.75 HIF1A (0.47) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL29375243 0.75 KDM4E (0.60) MEN1KMT2AMAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336469-B SBS modified asphalt mixture and preparation method thereof 湖北津泰环保科技有限公司 2021-06-08 CN disclosed
EP-1414476-A1 BAUHINIA EXTRACTS MERCK PATENT GmbH (DE) 2004-05-06 EP disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
WO-2003011311-A1 BAUHINIA EXTRACTS MERCK PATENT GMBH (DE) 2003-02-13 WO disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed