SCHEMBL6815339

SCHEMBL6815339

O=C(O)c1ccc(COc2ccccc2)o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.77
NPC1 O15118 8/20 0.74
RAB9A P51151 8/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
KMT2A Q03164 3/20 0.74
HSD17B10 Q99714 2/20 0.74
MAPK1 P28482 1/20 0.74
KDM4E B2RXH2 2/20 0.68
HSP90AA1 P07900 1/20 0.64
MAPT P10636 1/20 0.62
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59

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
SCHEMBL6814497 0.92 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL1756442 0.91 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6815374 0.91 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6810773 0.91 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6810769 0.89 POLB (0.81) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL24141510 0.87 NPC1 (0.61) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3562732 0.87 NPC1 (0.69) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6815160 0.87 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6815353 0.85 NPC1 (0.71) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL19984727 0.85 NPC1 (0.67) POLBNPC1RAB9ASMN1; SMN2TDP1

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 3 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
EP-3077386-B1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-09-06 EP disclosed
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