SCHEMBL7666358

SCHEMBL7666358

CCOC(=O)CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
ALOX5 P09917 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ABCB1 P08183 1/20 0.43
PPID Q08752 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10478127 0.87 ABCB1 (0.53) LTA4HALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL4796207 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1F13A1TGM2
SCHEMBL9998357 0.85 ALDH1A1 (0.49) LTA4HALOX5ALDH1A1L3MBTL1MAPK1
SCHEMBL164180 0.85 ALDH1A1 (0.51) LTA4HALDH1A1L3MBTL1MAPK1F13A1
SCHEMBL7367495 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1LMNAF13A1
SCHEMBL7769197 0.84 ALOX5 (0.49) LTA4HALOX5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24296056 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1LMNAPOLB
SCHEMBL2621482 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1F13A1TGM2
SCHEMBL3423094 0.83 ALOX5 (0.51) LTA4HALOX5SMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7773270 0.83 ALOX5 (0.48) LTA4HALOX5SMN1; SMN2ALDH1A1L3MBTL1

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
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed