SCHEMBL285027

SCHEMBL285027

C=COC(=O)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKT1 P31749 1/20 0.38
HPGD P15428 5/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MGLL Q99685 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PLIN1 O60240 1/20 0.35
HTT P42858 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGM2 P21980 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6962294 0.80 FFAR1 (0.41) NPC1RAB9AHPGDMAPTHSD17B10
SCHEMBL6968617 0.77 HPGD (0.42) NPC1RAB9AHPGDMAPTHSD17B10
SCHEMBL6683261 0.76 HPGD (0.46) NPC1RAB9AHPGDMAPTHSD17B10
SCHEMBL6967901 0.76 FFAR1 (0.37) NPC1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL10914613 0.73 AKT1 (0.35) NPC1RAB9AAKT1HPGDMAPT
SCHEMBL6962138 0.73 KCNH2 (0.38) NPC1HPGDMAPTSMN1; SMN2FFAR1
SCHEMBL6832557 0.72 HPGD (0.42) NPC1RAB9AHPGDMAPTHSD17B10
SCHEMBL330818 0.72 AKT1 (0.46) NPC1RAB9AAKT1HPGDMAPT
SCHEMBL10144329 0.72 TSHR (0.46) NPC1RAB9AHPGDMAPTHSD17B10
SCHEMBL12319725 0.72 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL

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
WO-2017162536-A1 VORTIOXETINE PRODRUGS H. LUNDBECK A/S (DK) 2017-09-28 WO disclosed
EP-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP disclosed
EP-2428235-A2 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers Technische Universität Wien (AT) 2012-03-14 EP disclosed
EP-2219697-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL Technische Universität Wien (AT) 2010-08-25 EP disclosed
WO-2009065162-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITÄT WIEN (AT) 2009-05-28 WO disclosed