SCHEMBL7006308

SCHEMBL7006308

CCCC(=O)Cc1cccc(C(=O)OCC)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 3/20 0.44
CDC25B P30305 3/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
CLEC4M Q9H2X3 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL7012337 0.90 MAPT (0.48) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL7415121 0.89 SMN1; SMN2 (0.46) MAPTMEN1MAPK1KMT2APOLB
Ethylene SCHEMBL7413517 0.86 SMN1; SMN2 (0.44) MAPTMEN1MAPK1KMT2APOLB
SCHEMBL29220976 0.82 MAPT (0.50) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL30954344 0.82 MAPT (0.50) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL7407879 0.81 SMN1; SMN2 (0.44) MAPTMEN1MAPK1KMT2APOLB
Ethylene SCHEMBL7411102 0.80 SMN1; SMN2 (0.43) MAPTMEN1MAPK1KMT2APOLB
SCHEMBL7412813 0.80 TRPV1 (0.45) MAPTMEN1KMT2ATSHRPOLB
SCHEMBL18285205 0.78 TSHR (0.56) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL6656676 0.78 MEN1 (0.68) MAPTMEN1MAPK1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed