SCHEMBL19656165

SCHEMBL19656165

O=C(Oc1cccc2c1oc1c(OC(=O)c3ccco3)cccc12)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.68
HSD17B10 Q99714 3/20 0.68
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 5/20 0.56
TSHR P16473 4/20 0.56
MEN1 O00255 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TYMS P04818 1/20 0.52
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
HPGD P15428 1/20 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
SCHEMBL19656171 0.77 KMT2A (0.61) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL19084339 0.77 KMT2A (0.71) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL7897291 0.73
SCHEMBL19642796 0.72 ESR1 (0.65) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL19643109 0.72 KMT2A (0.65) KMT2AHSD17B10KDM4EPOLBMEN1
SCHEMBL28297982 0.72 KMT2A (0.55) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL13381577 0.71 KMT2A (0.75) KMT2AHSD17B10KDM4EALDH1A1TSHR
SCHEMBL7701028 0.71 KMT2A (1.00) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL27906644 0.71 KMT2A (0.63) KMT2AHSD17B10KDM4EPOLBALDH1A1
SCHEMBL19656170 0.71 ESR1 (0.66) KMT2AKDM4EPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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