SCHEMBL18171688

SCHEMBL18171688

O=C(O)c1cccc2c1C(=O)OC21c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(O)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
THRB P10828 3/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
BLM P54132 2/20 0.44
TSHR P16473 2/20 0.44
BRCA1 P38398 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
HIF1A Q16665 1/20 0.44
GLB1 P16278 1/20 0.44
CTRC Q99895 1/20 0.44
SMAD3 P84022 1/20 0.44
DHFR P00374 2/20 0.39
TYMS P04818 2/20 0.39

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
SCHEMBL3472516 0.86 THRB (0.44) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL154596 0.85 MEN1 (0.40) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL202598 0.85 ALDH1A1 (0.48) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL204164 0.85 ALDH1A1 (0.48) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL1468956 0.81 ALDH1A1 (0.40) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL347626 0.80 THRB (0.50) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL498286 0.79 MEN1 (0.61) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL29486978 0.79 MEN1 (0.61) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL4843133 0.79 RECQL (0.65) ALDH1A1THRBRECQLTDP1MEN1
SCHEMBL6823049 0.78 RECQL (0.43) ALDH1A1THRBRECQLTDP1MEN1

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-3286224-A1 ISOLATION, DETECTION, DIAGNOSIS AND/OR CHARACTERIZATION OF CIRCULATING TROP-2-POSITIVE CANCER CELLS Immunomedics, Inc. (US) 2018-02-28 EP disclosed
WO-2016172427-A1 ISOLATION, DETECTION, DIAGNOSIS AND/OR CHARACTERIZATION OF CIRCULATING TROP-2-POSITIVE CANCER CELLS IMMUNOMEDICS, INC. (US) 2016-10-27 WO disclosed