SCHEMBL19984901

SCHEMBL19984901

COc1ccc(C(c2ccc(Cl)cc2)C(O)I)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.49
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
UTS2R Q9UKP6 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
BRD4 O60885 1/20 0.42
AOC3 Q16853 2/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL19984777 0.91 CA12 (0.48) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL19984778 0.84 TSHR (0.54) CNR2HPGDCYP19A1TDP1L3MBTL1
SCHEMBL19984905 0.84 GAA (0.51) CNR2GAAHPGDCYP19A1TDP1
SCHEMBL19984817 0.84 ACP3 (0.54) CNR2ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL1349310 0.81 GAA (0.55) CNR2GAAHPGDCYP19A1TDP1
SCHEMBL3693512 0.78 BRD4 (0.54) CNR2GAAHPGDALDH1A1L3MBTL1
SCHEMBL19984686 0.77 IDO1 (0.47) CNR2HPGDTDP1L3MBTL1TSHR
SCHEMBL15342382 0.77 SLC2A1 (0.59) CNR2GAAHPGDCYP19A1TDP1
SCHEMBL2226770 0.76
SCHEMBL154527 0.76

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
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed