SCHEMBL6887250

SCHEMBL6887250

N=C(CCC(=O)OC(=O)c1ccc(O)c(I)c1)OC(=O)c1ccc(O)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
XDH P47989 1/20 0.35
PCNA P12004 4/20 0.34
POLB P06746 3/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
HIF1A Q16665 2/20 0.34
MAPK1 P28482 1/20 0.34
EYA3 Q99504 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL6553046 0.81 HSD17B2 (0.56) POLBSMN1; SMN2CYP1A2HSD17B2KDM4E
SCHEMBL8948561 0.80 TPMT (0.38) CA1CA2PTPN1RXRA
SCHEMBL6307975 0.74 MAPT (0.40) POLBLMNAHPGDSMN1; SMN2HSD17B10
SCHEMBL17907572 0.74 NPC1 (0.42) CA1CA2MAPK1PTPN1LMNA
SCHEMBL6754862 0.73 MAPK1 (0.46) POLBHIF1AMAPK1LMNASMN1; SMN2
SCHEMBL7129075 0.72 ESR1 (0.45) ESR1CA12CA1CA2CA7
SCHEMBL43876 0.72 ALDH1A1 (0.49) KDM4EALDH1A1MAPTKMT2A
SCHEMBL15515208 0.72 ELANE (0.46) POLBHIF1AMAPK1LMNAHPGD
SCHEMBL10810727 0.72 ALDH1A1 (0.39) MAPK1ALDH1A1
SCHEMBL16871705 0.72 PTPN2 (0.41) PTPN1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087733-A2 PREVENTION AND TREATMENT OF ALZHEIMER AMYLOID DEPOSITION NEW YORK UNIVERSITY (US) 2004-10-14 WO disclosed