SCHEMBL7833052

SCHEMBL7833052

CCOC(=O)C(=Cc1cc(OC)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
BACE1 P56817 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
PLIN1 O60240 1/20 0.51
POLB P06746 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
GLO1 Q04760 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44

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
SCHEMBL17049220 0.91 MAPT (0.66) MAPTLMNAALDH1A1KDM4EBACE1
SCHEMBL28979235 0.89 MAPT (0.55) MAPTLMNAALDH1A1KDM4EBACE1
SCHEMBL24003040 0.83 MAPT (0.56) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL7818698 0.83 MAPT (0.53) MAPTLMNAALDH1A1KDM4EBACE1
SCHEMBL30305181 0.83 MAPT (0.56) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL10318091 0.83 ALDH1A1 (0.72) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL11405158 0.81 LMNA (0.68) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL825027 0.80 LMNA (0.55) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL30467446 0.80 MAPT (0.58) MAPTLMNAALDH1A1KDM4EBACE1
SCHEMBL16906143 0.80 MAPT (0.58) MAPTLMNAALDH1A1KDM4EBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO disclosed