SCHEMBL7370824

SCHEMBL7370824

COc1ccc(CNOC(C=O)CC(C(=O)OCc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8487156 0.92 POLB (0.44) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7377176 0.79 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL8487208 0.73 MEN1 (0.47) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL8491628 0.73 CYP2D6 (0.48) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL7373091 0.72 SIGMAR1 (0.54) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL24199876 0.71 SIGMAR1 (0.68) SIGMAR1KDM4EALDH1A1FAAHLMNA
SCHEMBL8487205 0.70 HSD17B10 (0.57) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL7372510 0.69 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL28217942 0.68 SIGMAR1 (1.00) SIGMAR1KDM4EALDH1A1FAAHMEN1
SCHEMBL7373086 0.68 KDM4E (0.58) SIGMAR1KDM4EALDH1A1FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed