SCHEMBL7794957

SCHEMBL7794957

COc1cccc2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 3/20 0.41
ELANE P08246 2/20 0.40
DHFR P00374 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.39
PIM1 P11309 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
DUSP3 P51452 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7792225 0.96 MEN1 (0.47) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL7794885 0.94 MEN1 (0.46) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7786168 0.91 MEN1 (0.47) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL7795698 0.90 ALDH1A1 (0.43) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7792062 0.90 SLC6A2 (0.41) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7792041 0.90 SLC6A2 (0.47) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7795758 0.89 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL7794788 0.87 TTR (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL7794694 0.87 ALDH1A1 (0.39) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7795757 0.87 ALDH1A1 (0.44) MEN1KMT2ASLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed