SCHEMBL8161024

SCHEMBL8161024

[c]1cc(OCCOCc2ccccc2)ccc1-c1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.43
CHRNA7 P36544 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
FOXM1 Q08050 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8161084 0.86 GSTP1 (0.57) GSTP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5725784 0.86 CHRNA7 (0.40) GSTP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5724800 0.84 FOXM1 (0.42) GSTP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL10713484 0.80 TSHR (0.54) GSTP1FOXM1RAB9ASMN1; SMN2NPC1
SCHEMBL16594362 0.79 TSHR (0.56) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1420156 0.78 MAOB (0.50) GSTP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL27270853 0.78 GSTP1 (0.54) GSTP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5677947 0.78 LMNA (0.62) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL903883 0.78 TSHR (0.58) FOXM1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL27363692 0.76 TSHR (0.56) FOXM1RAB9ASMN1; SMN2NPC1TP53

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
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 EP claimed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 EP claimed