SCHEMBL6672332

SCHEMBL6672332

COc1ccc(COC(C)(C)C(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
FFAR1 O14842 1/20 0.45
LDHA P00338 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
F2RL1 P55085 1/20 0.44
CALM1 P0DP23 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G4B P0C869 1/20 0.42
CMA1 P23946 1/20 0.42

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
SCHEMBL31377393 0.85 NPC1 (0.53) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL3511047 0.83 HTT (0.53) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6676609 0.81 KMT2A (0.44) SMN1; SMN2IDO1AGXTMEN1KMT2A
SCHEMBL6679251 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL17796461 0.77 HTT (0.43) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL9590123 0.77 PPARA (0.52) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15431874 0.76 IDO1 (0.57) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL722902 0.75 ALDH1A1 (0.60) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10894103 0.74 IDO1 (0.55) HTTSMN1; SMN2NPC1RAB9AIDO1
SCHEMBL3508585 0.74 IDO1 (0.50) HTTSMN1; SMN2NPC1RAB9APOLB

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