SCHEMBL3625535

SCHEMBL3625535

C=Cc1ccc2cc(OCC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.50
ESR1 P03372 2/20 0.49
AHR P35869 1/20 0.49
NQO1 P15559 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL3624946 0.96 RELA (0.47) RELAESR1AHRNQO1TUBB4A
SCHEMBL3629029 0.96 RELA (0.47) RELAESR1AHRNQO1TUBB4A
SCHEMBL283041 0.86 CHRNA7 (0.43) RELAESR1AHRNQO1TUBB4A
SCHEMBL3902755 0.85 NCF1 (0.54) AHRNPC1MAPTRAB9AKDM4E
SCHEMBL23636269 0.82 CYP1A2 (0.51) RELAESR1AHRTUBB4ATUBB
SCHEMBL3901025 0.82 NCF1 (0.51) NPC1MAPTRAB9AKDM4EMAPK1
SCHEMBL283100 0.82 TRPA1 (0.39) ESR1AHRTUBB4ATUBBTUBA3C
SCHEMBL181498 0.82 NQO1 (0.64) RELAESR1AHRNQO1TUBB4A
SCHEMBL29629327 0.82 NQO1 (0.68) RELANQO1NPC1MAPTKDM4E
SCHEMBL3825385 0.82 NQO1 (0.68) RELANQO1NPC1MAPTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603578-A Lignan compound and synthesis method thereof 山东大学 2021-11-05 CN disclosed
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed
EP-2506357-B1 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORP (JP) 2015-06-17 EP disclosed
EP-2506357-A1 Separation membrane for direct liquid fuel cell and method for producing same Tokuyama Corporation (JP) 2012-10-03 EP disclosed
US-8232325-B2 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORPORATION (JP) 2012-07-31 US disclosed
US-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed
EP-1990854-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING SAME Tokuyama Corporation (JP) 2008-11-12 EP disclosed