SCHEMBL7786028

SCHEMBL7786028

CCCOc1ccc2c(c1)C(=O)c1cccc(OC(C)C3CCCCN3)c1-2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRNA7 P36544 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
SCHEMBL7792427 0.97 MAPT (0.36) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL7795720 0.93 TTR (0.39) KMT2AMAPTMEN1L3MBTL1SLC6A2
SCHEMBL7792193 0.91 KMT2A (0.38) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL7786280 0.90 SLC6A2 (0.39) KMT2AMEN1ALDH1A1SLC6A2SLC6A4
SCHEMBL7786129 0.90 KCNA3 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7796478 0.90 TTR (0.40) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL7792655 0.89 HTR2A (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7792133 0.88 TTR (0.36) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL7795846 0.88 HTR2A (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7792041 0.88 SLC6A2 (0.47) KMT2AMAPTMEN1ALDH1A1L3MBTL1

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