SCHEMBL4980705

SCHEMBL4980705

CON=Cc1c(-c2ccccc2)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFE2L2 Q16236 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL6536016 0.80 ERN1 (0.50) NPC1SMN1; SMN2NFE2L2RAB9ATUBB4A
SCHEMBL29788008 0.75 HDAC4 (0.53) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL4579619 0.75 HDAC4 (0.53) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL27397264 0.72 NPC1 (0.46) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3643547 0.72 NPC1 (0.54) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL28081752 0.72 ALOX5AP (0.48) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL29814564 0.70 PDE4B (0.60) NPC1SMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL29814561 0.70 PDE4B (0.60) NPC1SMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL16055930 0.70 ALDH1A1 (0.46) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL8898516 0.70 NPC1 (0.45) NPC1SMN1; SMN2RAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed