SCHEMBL19968965

SCHEMBL19968965

CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)COc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ELANE P08246 12/20 0.44
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL20179643 0.73 GRM5 (0.63) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL13186281 0.72 ESR1 (0.44) ESR1ESR2
SCHEMBL20179642 0.71 ELANE (0.42) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL20165273 0.71 GRM5 (0.54) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL13998362 0.71 ELANE (0.76) ELANEHSD17B10
SCHEMBL18456063 0.70 MAPT (0.53) MAPTMEN1KMT2AELANEHSD17B10
SCHEMBL17861951 0.69 ESRRB (0.49) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL22369614 0.69 ELANE (0.86) ELANE
SCHEMBL10064126 0.68 MAPT (0.60) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL30953875 0.68 KDM4E (0.52) ESR1ESR2MAPTMEN1KMT2A

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
WO-2018049042-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS BY INHIBITING ESTROGEN SIGNALING IN MYELOID-DERIVED SUPPRESSOR CELLS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-03-15 WO disclosed