SCHEMBL8727723

SCHEMBL8727723

CCOC(=O)CCCN(C#N)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 4/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL24768581 0.78 ALDH1A1 (0.58) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL28016562 0.78 ALDH1A1 (0.58) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL7666358 0.77 LTA4H (0.52) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL3978302 0.77 ALOX5 (0.54) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL7769197 0.76 ALOX5 (0.49) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL27493267 0.75 ALDH1A1 (0.61) ALOX5SMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL19862468 0.75 ALOX5 (0.51) ALOX5ALDH1A1KMT2AMAPK1TDP1
SCHEMBL3423094 0.74 ALOX5 (0.51) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7773270 0.74 ALOX5 (0.48) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL1713228 0.73 ALOX5 (0.63) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813425-A4 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORP (US) 1998-09-09 EP disclosed
US-5756685-A MEDICAL DIAGNOSIS; THERAPY NEORX CORPORATION (US) 1998-05-26 US disclosed
EP-0813425-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1997-12-29 EP disclosed
US-5556982-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1996-09-17 US disclosed
WO-1995002423-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1995-01-26 WO disclosed
US-5242679-A Complexes for imaging tumors NEORX CORPORATION (US) 1993-09-07 US disclosed
US-5175343-A For detection, radiotherapy and radeoimaging of tumors NEORX CORPORATION (US) 1992-12-29 US disclosed
US-5120526-A Chelate compounds NEORX CORPORATION (US) 1992-06-09 US disclosed
US-5037630-A Chelated polypeptides specific for tumors, improved imaging NEORX CORPORATION (US) 1991-08-06 US disclosed
US-5021556-A Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides NEORX CORPORATION (US) 1991-06-04 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0300431-A2 Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides NEORX CORPORATION (US) 1989-01-25 EP disclosed