SCHEMBL6815683

SCHEMBL6815683

CC(Cc1ccc(OCc2ccc(C(=O)O)o2)cc1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.61
RAB9A P51151 12/20 0.61
POLB P06746 4/20 0.61
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 2/20 0.52
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 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
SCHEMBL6814883 0.87 NPC1 (0.64) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6810690 0.80 POLB (0.63) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6814602 0.77 NPC1 (0.64) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6814481 0.76 NPC1 (0.73) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6814478 0.75 NPC1 (0.76) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6814360 0.73 NPC1 (0.76) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6815339 0.73 POLB (0.77) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6818904 0.72 RAB9A (0.78) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL2558347 0.72 POLB (0.81) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL6814497 0.72 POLB (0.75) NPC1RAB9APOLBKDM4EKMT2A

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 1 patent. 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 disclosed