SCHEMBL6814744

SCHEMBL6814744

CCOC(=O)c1ccc(COc2ccc(COC)cc2)o1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.73
RAB9A P51151 10/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
HSP90AA1 P07900 2/20 0.67
KMT2A Q03164 3/20 0.60
POLB P06746 3/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAPT P10636 2/20 0.56

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
SCHEMBL5320126 0.90 NPC1 (0.74) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL2090871 0.87 NPC1 (0.60) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL3563966 0.85 NPC1 (0.71) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6814208 0.83 KMT2A (0.77) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6814360 0.83 NPC1 (0.76) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6810726 0.82 NPC1 (0.67) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6814432 0.82 NPC1 (0.67) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6810725 0.80 NPC1 (0.74) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6810983 0.80 NPC1 (0.74) NPC1RAB9AL3MBTL1HSP90AA1KMT2A
SCHEMBL6819029 0.80 NPC1 (0.64) NPC1RAB9AL3MBTL1HSP90AA1KMT2A

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