SCHEMBL9709635

SCHEMBL9709635

CC1=C(CCCCCCCCC(=O)O)C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
APAF1 O14727 1/20 0.54
MITF O75030 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDC25B P30305 4/20 0.52
CDC25A P30304 3/20 0.52
MAP2K7 O14733 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
S100A4 P26447 1/20 0.48
TRAP1 Q12931 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
F13A1 P00488 3/20 0.44

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
SCHEMBL21940525 1.00 MAPT (0.54) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL29263294 1.00 MAPT (0.54) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL30201802 1.00 MAPT (0.54) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL11421782 0.98 MAPT (0.55) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL30005823 0.94 MAPT (0.56) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL4446630 0.94 MAPT (0.56) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL13649357 0.87 MAPT (0.59) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL25753957 0.85 KDM4E (0.46) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL11411263 0.84 MAPT (0.49) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL21878889 0.83 MAPT (0.59) MAPTL3MBTL1ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007814-A1 NOVEL W-(1,4-QUINONYL)-ALKANALS, PROCESS FOR MAKING THEM AND USES Gesellschaft für Biotechnologische Forschung mbH (DE) 1992-05-14 WO disclosed
EP-0015468-B1 6-DEOXYGLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-29 EP disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 US disclosed
EP-0015468-A1 6-Deoxyglucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-17 EP disclosed