SCHEMBL5873749

SCHEMBL5873749

O=C(O)Oc1ccc(-c2c(I)ccc3ccccc23)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.39
ALOX5 P09917 1/20 0.38
GPR84 Q9NQS5 4/20 0.38
ACLY P53396 1/20 0.37
BACE1 P56817 1/20 0.37
WDR5 P61964 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A9 P48067 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SOS1 Q07889 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL238322 0.80 MCL1 (0.52) SLC6A9CHRNB2CHRNB4CHRNA3CHRNA4
Bicarbonate SCHEMBL28016110 0.79 MCL1 (0.51) SLC6A9CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL236489 0.78 ACMSD (0.46) ALOX5GPR84ACLYBACE1MEN1
Bicarbonate SCHEMBL28016114 0.77 ACMSD (0.45) ALOX5GPR84ACLYBACE1MEN1
SCHEMBL10529318 0.76 WDR5 (0.49) NCEH1ALOX5WDR5KDM4EALDH1A1
SCHEMBL17697651 0.76 SLC6A9 (0.51) ACLYBACE1MEN1KMT2ASLC6A9
SCHEMBL9654427 0.74 MAPT (0.55) NCEH1WDR5KDM4EALDH1A1MAPT
SCHEMBL12695622 0.72 ALDH1A1 (0.46) ALOX5WDR5KDM4EALDH1A1MAPT
SCHEMBL20875279 0.72 WDR5 (0.41) NCEH1GPR84WDR5KDM4EMEN1
SCHEMBL20875275 0.72 WDR5 (0.40) NCEH1ALOX5WDR5MEN1KMT2A

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-7091302-B2 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG (DE) 2006-08-15 US disclosed
US-20050239995-A1 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG 2005-10-27 US disclosed