SCHEMBL6983380

SCHEMBL6983380

CCOC(OCC)[C@]1(C)C=Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 2/20 0.46
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
HIF1A Q16665 5/20 0.43
EPAS1 Q99814 5/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.35
AKR1B1 P15121 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
XDH P47989 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL9205782 0.86 CA9 (0.44) TLR3CA9CA12CA1HIF1A
SCHEMBL928563 0.86 CA9 (0.44) TLR3CA9CA12CA1HIF1A
SCHEMBL3258594 0.86 CA9 (0.44) TLR3CA9CA12CA1HIF1A
SCHEMBL3193294 0.76 TLR3 (0.59) TLR3CA9CA12CA1HIF1A
SCHEMBL6976994 0.74 PTGS1 (0.62) TLR3CA9CA12CA1HIF1A
SCHEMBL6271010 0.74 TLR3 (0.42) TLR3CA9CA12CA1HIF1A
SCHEMBL8535288 0.73 TLR3 (0.46) TLR3CA9CA12CA1HIF1A
SCHEMBL6987818 0.73 TLR3 (0.46) TLR3CA9CA12CA1HIF1A
SCHEMBL8316093 0.73 PTGS1 (0.47) TLR3CA9CA12CA1HIF1A
SCHEMBL6948888 0.72 MAPT (0.47) TLR3CA9CA12CA1HIF1A

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-1229371-C Benzopyran guanidine derivatives, process for preparing the same, and pharmaceutical composition thereof KOREA RES INST CHEM TECH (KR) 2005-11-30 CN disclosed
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed