SCHEMBL6815682

SCHEMBL6815682

CN(CC(C)(C)C)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.62
RAB9A P51151 13/20 0.62
POLB P06746 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 1/20 0.58
HSP90AA1 P07900 2/20 0.55
MEN1 O00255 2/20 0.47
MAPT P10636 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
SCHEMBL6818930 0.88 NPC1 (0.60) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815332 0.82 NPC1 (0.56) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6810905 0.80 SMN1; SMN2 (0.67) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814465 0.79 NPC1 (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6914115 0.78 NPC1 (0.71) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814360 0.76 NPC1 (0.76) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815302 0.76 NPC1 (0.73) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814474 0.76 NPC1 (1.00) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815339 0.75 POLB (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6818904 0.75 RAB9A (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A

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
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed