SCHEMBL7786141

SCHEMBL7786141

CCCCOc1ccc2c(c1)C(=O)c1cccc(OCCC3CCCN3)c1-2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA3 P22001 1/20 0.40
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ELANE P08246 1/20 0.38
PTPN1 P18031 1/20 0.37
CHRNA7 P36544 1/20 0.36
POLB P06746 1/20 0.36
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL7786049 0.97 MAPT (0.44) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7792423 0.97 CHRNB4 (0.38) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7786024 0.94 MAPT (0.40) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7796472 0.93 TTR (0.41) MAPTL3MBTL1KCNA3CHRNB4CHRNA3
SCHEMBL7792188 0.91 MAPT (0.42) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7792043 0.91 KCNA3 (0.41) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7786404 0.91 KCNA3 (0.44) KCNA3CHRNB4CHRNA3
SCHEMBL7795723 0.91 ELANE (0.44) KCNA3CHRNB4CHRNA3ELANE
SCHEMBL7795713 0.90 MAPT (0.40) MAPTKMT2AL3MBTL1CHRNA7
SCHEMBL7792117 0.90 CHRNB4 (0.44) KMT2AMEN1KCNA3CHRNB4CHRNA3

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