SCHEMBL7083506

SCHEMBL7083506

CC(C)(C)C(=O)Oc1ccc2c(c1)C=CC1(CCCCC1)N2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE7A Q13946 1/20 0.35
CA2 P00918 4/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
Hydrochloric Acid SCHEMBL7655485 0.99 ELANE (0.39) ELANEMEN1KMT2APDE7ACA2
SCHEMBL7081351 0.81 SLC6A2 (0.38) PDE7A
Hydrochloric Acid SCHEMBL7654967 0.75 ALDH1A1 (0.39) MEN1KMT2APDE7A
SCHEMBL7085627 0.74 MAOB (0.40) PDE7A
SCHEMBL6914407 0.65 MAPT (0.43) MEN1KMT2APDE7A
SCHEMBL27510896 0.64 KDM4E (0.51) ELANEMEN1KMT2ACA2
SCHEMBL22369614 0.64 ELANE (0.86) ELANE
SCHEMBL1257457 0.63 ADORA3 (0.54) ELANE
SCHEMBL15872109 0.63 ADORA3 (0.51) ELANE
SCHEMBL10353823 0.63 ADORA3 (0.48) ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 EP disclosed