SCHEMBL1270679

SCHEMBL1270679

O=C(Oc1ccc(O)cc1)C(I)I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
XBP1 P17861 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP10 Q53GL7 1/20 0.39
P4HB P07237 1/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL689963 0.80 ELANE (0.44) ELANEMEN1KMT2AESR1ESR2
SCHEMBL18671908 0.79 ESR1 (0.42) ELANEMEN1KMT2AESR1ESR2
SCHEMBL9792729 0.78 PDPK1 (0.44) ELANEMEN1KMT2AESR1ESR2
SCHEMBL5186261 0.78 ELANE (0.68) ELANEMEN1KMT2AESR1ESR2
SCHEMBL22981786 0.77 ELANE (0.37) ELANE
SCHEMBL21141620 0.77 ELANE (0.43) ELANEMEN1KMT2AESR1ESR2
SCHEMBL624333 0.77 ELANE (0.50) ELANEMEN1KMT2AESR1ESR2
SCHEMBL28184139 0.77 ELANE (0.50) ELANEMEN1KMT2AESR1ESR2
SCHEMBL28183245 0.77 ELANE (0.50) ELANEMEN1KMT2AESR1ESR2
SCHEMBL21881871 0.75 ELANE (0.41) ELANEMEN1KMT2AESR1ESR2

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
EP-2459617-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES Rutgers, The State University of New Jersey (US) 2012-06-06 EP disclosed
WO-2011014858-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-02-03 WO disclosed