SCHEMBL7128044

SCHEMBL7128044

CCCCCOc1cccc2c1OC(C)(C)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 2/20 0.49
HTR1A P08908 1/20 0.47

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
SCHEMBL17525886 0.91 NPC1 (0.56) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL3183533 0.87 NPC1 (0.56) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL7963661 0.87 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL6730228 0.86 NPC1 (0.54) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL5783680 0.85 ALDH1A1 (0.57) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL14359479 0.84 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL7819650 0.84 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL31276466 0.84 NPC1 (0.58) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL4189649 0.84 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL10529630 0.84 ALDH1A1 (0.57) NPC1ALDH1A1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862545-B1 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-06-04 EP claimed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP claimed
WO-1997019040-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1997-05-29 WO claimed
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US disclosed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP disclosed