SCHEMBL19656170

SCHEMBL19656170

COc1ccc(C(=O)Oc2cccc3c2oc2c(OC(=O)c4ccc(OC)cc4)cccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.66
ESR2 Q92731 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 8/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAOA P21397 1/20 0.47
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 1/20 0.46
GBA1 P04062 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL19642827 0.85 CCNC (0.50) ESR1ESR2MAPTNPC1ALDH1A1
SCHEMBL19656171 0.83 KMT2A (0.61) ESR1ESR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL21159215 0.78 KMT2A (0.67) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL19642796 0.78 ESR1 (0.65) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL29639206 0.77 ESR1 (0.62) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL19084337 0.77 ESR1 (0.62) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL17916646 0.76 ESR1 (0.69) ESR1ESR2L3MBTL1MAPTSMN1; SMN2
SCHEMBL13563690 0.76 ESR1 (0.61) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL10442501 0.75 ESR1 (0.73) ESR1ESR2L3MBTL1MAPTNPC1
SCHEMBL22041596 0.75 CA12 (0.73) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464391-B1 NON-PHTHALATE DONOR FOR POLYOLEFIN CATALYSTS BRASKEM AMERICA INC (US) 2024-01-03 EP claimed
US-11370854-B2 Non-phthalate donor for polyolefin catalysts BRASKEM AMERICA, INC. (US) 2022-06-28 US disclosed
US-20200223958-A1 NON-PHTHALATE DONOR FOR POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 2020-07-16 US disclosed
US-10662267-B2 Non-phthalate donor for polyolefin catalysts W.R. GRACE & CO. -CONN. (US) 2020-05-26 US disclosed
US-20190270831-A1 NON-PHTHALATE DONOR FOR POLYOLEFIN CATALYSTS W. R. GRACE & CO. - CONN. 2019-09-05 US disclosed
WO-2017204811-A1 NON-PHTHALATE DONOR FOR POLYOLEFIN CATALYSTS W.R. GRACE & CO. -CONN. (US) 2017-11-30 WO disclosed