SCHEMBL6676609

SCHEMBL6676609

CC(C)(OCc1ccc(F)cc1)C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 5/20 0.44
HPGD P15428 1/20 0.41
NR4A2 P43354 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAOA P21397 1/20 0.40
RIPK1 Q13546 2/20 0.40

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
SCHEMBL8935661 0.84 SLC16A3 (0.46) KMT2AMEN1SMN1; SMN2L3MBTL1MAOB
SCHEMBL6679251 0.82 ALDH1A1 (0.53) KMT2ASMN1; SMN2L3MBTL1MAOB
SCHEMBL6672332 0.81 HTT (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1IDO1
SCHEMBL8103605 0.75 IDO1 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1MAOB
SCHEMBL11550869 0.73 PPARA (0.50) KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL136005 0.72 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1MAOB
SCHEMBL13543649 0.71 L3MBTL1 (0.54) KMT2AMEN1SMN1; SMN2L3MBTL1MAOB
SCHEMBL9243997 0.71 SLC16A3 (0.35) SMN1; SMN2
SCHEMBL10840399 0.70 MAOA (0.49) KMT2AMEN1L3MBTL1MAOBNR4A2
SCHEMBL28584628 0.70 L3MBTL1 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed