SCHEMBL1590640

SCHEMBL1590640

CO[C](c1ccccc1)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5182345 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL30023422 0.79 MAPT (0.66) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL2446110 0.79 MAPT (0.66) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL240091 0.78 RAB9A (0.59) ALDH1A1KMT2AMAPTKDM4ENPC1
SCHEMBL27888985 0.78 MAPT (0.51) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL8526794 0.76 PKM (0.53) ALDH1A1MEN1KMT2APKMMAPT
Benzene SCHEMBL27688092 0.74 MAPT (0.70) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL27660465 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL11369381 0.74 MAPT (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL27998558 0.72 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN disclosed
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
CN-114008065-A Glycyrrhetinic acid derivatives for treating hyperkalemia 阿德利克斯股份有限公司 2022-02-01 CN disclosed
EP-3921327-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2021-12-15 EP disclosed
WO-2020163642-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA ARDELYX, INC. (US) 2020-08-13 WO disclosed
CN-110785418-A Isoindolinone derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-11 CN disclosed
CN-110770229-A Benzofuran compounds as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-07 CN disclosed
EP-2491030-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2012-08-29 EP disclosed
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 WO disclosed
EP-1153034-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000049037-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-08-24 WO disclosed