SCHEMBL7419397

SCHEMBL7419397

O=C=NC(C(=O)O)C(OCc1ccccc1)C(=O)CONC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.48
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 4/20 0.42
SLC1A3 P43003 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.34
MAPK8 P45983 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33

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
SCHEMBL2269233 0.73 SLC1A3 (0.49) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL7819092 0.70 SLC1A3 (0.43) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL7821068 0.70 SLC1A1 (0.43) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL7424713 0.69 NPC1 (0.62) CASP1MEN1KMT2AHDAC8HDAC6
SCHEMBL7419447 0.69 CASP1 (0.58) CASP1SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7065597 0.66 SLC1A2 (0.38) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL7413783 0.65 CASP1 (1.00) CASP1
SCHEMBL9479885 0.65 CASP1 (0.50) CASP1MEN1KMT2AHDAC8HDAC6
SCHEMBL418322 0.65 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL852209 0.65 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1KMT2A

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
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
US-5919790-A ANTIINFLAMMATORY AGENT; THERAPY FOR STROKE, SEPTIC SHOCK;ALZHEIMER*S DISEASE WARNER-LAMBERT COMPANY (US) 1999-07-06 US disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed