SCHEMBL3901025

SCHEMBL3901025

C=Cc1ccc2ccc(OCCOCC)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA7 P36544 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
APP P05067 2/20 0.42
PTPN1 P18031 1/20 0.38

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
SCHEMBL3902755 0.97 NCF1 (0.54) NCF1KDM4EMAPK1TDP1CHRNB4
SCHEMBL11959807 0.85 NCF1 (0.54) NCF1KDM4EMAPK1TDP1CHRNB4
SCHEMBL283041 0.83 CHRNA7 (0.43) NCF1KDM4EMAPK1TDP1CHRNB4
SCHEMBL3624946 0.83 RELA (0.47) KDM4EMAPK1CHRNB4CHRNA3CHRNA7
SCHEMBL3629029 0.83 RELA (0.47) KDM4EMAPK1CHRNB4CHRNA3CHRNA7
SCHEMBL501848 0.82 CHRNA7 (0.60) NCF1KDM4ECHRNB4CHRNA3CHRNA7
SCHEMBL3625535 0.82 RELA (0.50) KDM4EMAPK1CHRNB4CHRNA3CHRNA7
SCHEMBL4057109 0.82 NCF1 (0.68) NCF1KDM4EMAPK1TDP1NPC1
SCHEMBL6859298 0.81 CHRNA7 (0.58) NCF1KDM4ECHRNB4CHRNA3CHRNA7
SCHEMBL28914734 0.81 CHRNA7 (0.58) NCF1KDM4ECHRNB4CHRNA3CHRNA7

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
US-7491483-B2 Polymers, positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20070207408-A1 Polymers, positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2007-09-06 US disclosed