SCHEMBL6917394

SCHEMBL6917394

O=C(O)c1ccc(COc2ccc(C3CCc4ccccc43)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.55
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
APEX1 P27695 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8821322 0.78 MAPK1 (0.48) MAPK1KDM4EMAPK14
SCHEMBL6815339 0.78 POLB (0.77) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7454524 0.77 MAPK1 (0.47) MAPK1KDM4EMAPK14
SCHEMBL6810663 0.77 POLB (0.60) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6814497 0.76 POLB (0.75) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6810690 0.76 POLB (0.63) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6810773 0.75 POLB (0.73) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1756442 0.75 POLB (0.73) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6815374 0.75 POLB (0.73) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6810769 0.74 POLB (0.81) POLBNPC1RAB9AKMT2ASMN1; SMN2

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