SCHEMBL7795757

SCHEMBL7795757

COc1cc(OC)c2c(c1)C(=O)c1cccc(OC(C)C3CCCN3)c1-2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ELANE P08246 2/20 0.40
MAOA P21397 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
ACHE P22303 1/20 0.34

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
SCHEMBL7795698 0.97 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7794694 0.96 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7792062 0.93 SLC6A2 (0.41) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7786314 0.91 SLC6A2 (0.36) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7795942 0.91 SLC6A2 (0.38) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7792122 0.91 SLC6A2 (0.43) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7792225 0.90 MEN1 (0.47) ALDH1A1MEN1KMT2AELANEPDCD1LG2
SCHEMBL7786428 0.90 CHRNB4 (0.36) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7795746 0.90 SLC6A2 (0.37) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL7792641 0.89 CHRNB4 (0.35) ALDH1A1CYP1A2CYP3A4MEN1KMT2A

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