SCHEMBL6536644

SCHEMBL6536644

C=Cc1ccc(OC(C)OCCOc2ccc(OCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
RELA Q04206 1/20 0.41
ESR1 P03372 2/20 0.40
AHR P35869 2/20 0.40
NQO1 P15559 1/20 0.40
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL685743 0.89 CHRNA7 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL685647 0.89 CHRNA7 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3103083 0.88 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL684984 0.85 LTA4H (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5693040 0.83 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL134315 0.83 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5900997 0.82 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14944170 0.81 ALOX15 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6755143 0.80 HRH3 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9963792 0.80 HRH3 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-6727036-B2 COMPRISING A RESIN HAVING AN ACID-DECOMPOSING GROUP WHICH IS DECOMPOSED BY THE ACTION OF AN ACID TO INCREASE ALKALI SOLUBILITY, COMPOUNDS GENERATE ACID BY IRRIADIATION OF ACTIVE LIGHT (ONE CONTRIBUTES DECOMPOSITION OTHER DOES NOT), SOLVENT FUJI PHOTO FILM CO., LTD. (JP) 2004-04-27 US disclosed
US-20010033993-A1 Positive-working radiation-sensitive composition FUJIFILM CORPORATION (JP) 2001-10-25 US disclosed