SCHEMBL27852004

SCHEMBL27852004

O=C(Oc1cc(O)ccc1Cl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.67
ESR2 Q92731 3/20 0.67
KMT2A Q03164 5/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CAMK2A Q9UQM7 1/20 0.48
MEN1 O00255 4/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A3 Q01959 1/20 0.45
SERPINE1 P05121 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SLC2A1 P11166 1/20 0.43
SLC2A4 P14672 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL27851941 0.87 ESR1 (0.62) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL5162057 0.84 ESR1 (0.73) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL27939856 0.83 ESR1 (0.55) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL9743288 0.83 ESR1 (0.71) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL2060065 0.82 KMT2A (0.49) KMT2AMAPTSMN1; SMN2MEN1SLC6A3
SCHEMBL5706002 0.80 KMT2A (0.63) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL5179548 0.80 ESR1 (1.00) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL2060174 0.80 CYP4F2 (0.48) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL1975083 0.79 HPGD (0.51) ESR1ESR2KMT2AMAPTSMN1; SMN2
SCHEMBL9743098 0.79 ESR1 (0.66) ESR1ESR2KMT2AMAPTSMN1; SMN2

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
CN-102448978-A Novel Glucocorticoid Receptor Agonists PFIZER LTD 2012-05-09 CN claimed
CN-102448978-A Novel Glucocorticoid Receptor Agonists PFIZER LTD 2012-05-09 CN disclosed