SCHEMBL6818904

SCHEMBL6818904

CCCCOc1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.78
NPC1 O15118 12/20 0.78
POLB P06746 6/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
KMT2A Q03164 4/20 0.78
TDP1 Q9NUW8 3/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
MAPK1 P28482 1/20 0.78
HSD17B10 Q99714 1/20 0.69
KDM4E B2RXH2 1/20 0.68
HSP90AA1 P07900 2/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL6814360 0.84 NPC1 (0.76) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6813963 0.83 POLB (0.72) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6815339 0.83 POLB (0.77) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL2558347 0.82 POLB (0.81) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6814778 0.82 RAB9A (0.61) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6814497 0.82 POLB (0.75) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL3229701 0.82 POLB (0.75) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6810899 0.81 NPC1 (0.70) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6816070 0.81 NPC1 (0.70) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL1756431 0.81 NPC1 (0.72) RAB9ANPC1POLBSMN1; 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