SCHEMBL21075909

SCHEMBL21075909

COc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.91
MEN1 O00255 4/20 0.91
KMT2A Q03164 4/20 0.91
LMNA P02545 3/20 0.91
HTT P42858 2/20 0.91
ALDH1A1 P00352 2/20 0.91
USP2 O75604 2/20 0.91
GSTP1 P09211 1/20 0.67
CYP3A4 P08684 1/20 0.63
FTO Q9C0B1 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
PRMT1 Q99873 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMAD3 P84022 1/20 0.57
POLB P06746 2/20 0.45
ALOX12 P18054 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
Fluorescein Diacetate SCHEMBL29453229 0.95 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
Fluorescein Diacetate SCHEMBL29353816 0.95 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
Fluorescein Diacetate SCHEMBL1028369 0.95 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
Fluorescein Diacetate SCHEMBL31658971 0.95 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
Fluorescein Diacetate SCHEMBL7648940 0.94 MAPT (0.98) MAPTMEN1KMT2ALMNAHTT
Fluorescein Diacetate SCHEMBL6248271 0.93 MAPT (0.95) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1930643 0.91 CYP3A4 (0.74) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29386324 0.91 CYP3A4 (0.74) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2285435 0.90 MAPT (0.89) MAPTMEN1KMT2ALMNAHTT
SCHEMBL14769054 0.90 MAPT (0.89) MAPTMEN1KMT2ALMNAHTT

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-20190169362-A1 POLYMER, COMPOSITION, MOLDED ARTICLE, CURED PRODUCT, AND LAMINATE JSR CORPORATION (JP) 2019-06-06 US disclosed