SCHEMBL6810690

SCHEMBL6810690

O=C(O)c1ccc(COc2ccc(C3CCCCC3)cc2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.63
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
HSP90AA1 P07900 1/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MEN1 O00255 1/20 0.48
GYS1 P13807 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
SCHEMBL6810663 0.88 POLB (0.60) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6815683 0.80 NPC1 (0.61) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6814602 0.80 NPC1 (0.64) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6815496 0.79 PTGER4 (0.61) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6815339 0.77 POLB (0.77) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL3229701 0.76 POLB (0.75) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6814497 0.76 POLB (0.75) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6917394 0.76 POLB (0.55) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6918714 0.76 RAB9A (0.64) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6814360 0.75 NPC1 (0.76) POLBRAB9ANPC1SMN1; 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 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