SCHEMBL6810899

SCHEMBL6810899

CCCC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.70
RAB9A P51151 13/20 0.70
POLB P06746 5/20 0.67
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 2/20 0.58
HSP90AA1 P07900 2/20 0.56
MAPT P10636 1/20 0.50

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
SCHEMBL6815302 0.90 NPC1 (0.73) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6819029 0.87 NPC1 (0.64) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6914115 0.86 NPC1 (0.71) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6814465 0.85 NPC1 (0.78) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6814474 0.82 NPC1 (1.00) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6818904 0.81 RAB9A (0.78) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6811118 0.80 NPC1 (0.77) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6814360 0.77 NPC1 (0.76) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6813963 0.77 POLB (0.72) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6815339 0.76 POLB (0.77) NPC1RAB9APOLBKMT2ASMN1; 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