SCHEMBL7782926

SCHEMBL7782926

CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
NR1D1 P20393 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL8128945 0.82 PPARG (0.45) PPARGPPARAITGA4ITGB7NR1D1
SCHEMBL9803399 0.81 ALDH1A1 (0.39) PPARGPPARAITGA4ITGB7NR1D1
SCHEMBL28743946 0.80 PPARG (0.44) PPARGPPARAITGA4ITGB7NR1D1
SCHEMBL4785949 0.80 CTSS (0.41) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL15577663 0.79 CTSS (0.44) PPARGPPARAITGA4ITGB7MEN1
SCHEMBL4516266 0.79 NPC1 (0.39) PPARGPPARAITGA4ITGB7NR1D1
SCHEMBL8371983 0.78 ALDH1A1 (0.41) PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL8373359 0.78 ALDH1A1 (0.41) PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL11648038 0.78 ALDH1A1 (0.41) PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL18301525 0.78 SLC7A5 (0.43) ITGA4ITGB7CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713093-B1 Improved methodology for colorimetrically determining the concentration of white blood cells in a biological fluid BAYER AG (US) 2001-10-10 EP disclosed
US-5663044-A Methodology for colorimetrically determining the concentration of white blood cells in a biological fluid BAYER CORPORATION (US) 1997-09-02 US disclosed
EP-0713093-A2 Improved methodology for colorimetrically determining the concentration of white blood cells in a biological fluid Bayer Corporation (US) 1996-05-22 EP disclosed
EP-0158204-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, CONTAINING A ZWITTERION COUPLING AGENT MILES INC. (US) 1989-11-23 EP disclosed
EP-0157326-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, ESTERASE AND PROTEASE IN A TEST SAMPLE MILES INC. (US) 1989-05-31 EP disclosed
US-4657855-A DIP-AND-READ, UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-04-14 US disclosed
US-4637979-A Composition and test device for determining the presence of leukocytes containing a zwitterion coupling agent MILES LABORATORIES, INC. (US) 1987-01-20 US disclosed