SCHEMBL5094500

SCHEMBL5094500

O=C(O)c1cc(Cl)c2c(c1Cl)C(=O)OC21c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(OC(=O)c1cc(Cl)c3c(c1Cl)C1(OC3=O)c3cc(Cl)c(O)c(Cl)c3Oc3c1cc(Cl)c(O)c3Cl)c2Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
GLB1 P16278 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CTRC Q99895 1/20 0.41
SMAD3 P84022 1/20 0.38

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
SCHEMBL204164 0.87 ALDH1A1 (0.48) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL202598 0.87 ALDH1A1 (0.48) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL7589676 0.85 SMAD3 (0.37) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL6415903 0.81 SMAD3 (0.35) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL8359568 0.78 TDP1 (0.43) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL229962 0.78 ALDH1A1 (0.43) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL29389278 0.77 THRB (0.41) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL4593779 0.77 THRB (0.41) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL18171688 0.76 ALDH1A1 (0.44) THRBRECQLTDP1ALDH1A1CYP3A4
SCHEMBL3472516 0.74 THRB (0.44) THRBRECQLTDP1ALDH1A1CYP3A4

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
US-7460223-B2 Inverted orientation for a microplate APPLIED BIOSYSTEMS INC. (US) 2008-12-02 US disclosed