SCHEMBL1616696

SCHEMBL1616696

c1ccc([N+]2(c3ccccc3)CCCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.38
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
EIF4H Q15056 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
RAB9A P51151 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL1618360 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GEIF4HHTT
SCHEMBL4899672 0.97 LMNA (0.39) PABPC1APOBEC3AAPOBEC3GEIF4HHTT
Methyl Alcohol SCHEMBL6903083 0.90 APOBEC3A (0.40) PABPC1APOBEC3AAPOBEC3GEIF4HHTT
SCHEMBL15282149 0.85 CYP1A2 (0.35) APOBEC3AAPOBEC3GHTTLMNAALDH1A1
SCHEMBL4893829 0.85 CYP1A2 (0.35) APOBEC3AAPOBEC3GHTTLMNAALDH1A1
SCHEMBL4907271 0.74 ORAI1 (0.40) ALDH1A1KMT2ACYP2C9SIGMAR1SLC6A2
SCHEMBL5944513 0.74 APOBEC3A (0.40) PABPC1APOBEC3AAPOBEC3GEIF4HHTT
SCHEMBL2290692 0.74 CYP1A2 (0.50) APOBEC3AAPOBEC3GHTTLMNAALDH1A1
SCHEMBL76560 0.74 LMNA (0.32) PABPC1APOBEC3AAPOBEC3GEIF4HHTT
SCHEMBL4432644 0.74 CYP1A2 (0.35) PABPC1APOBEC3AAPOBEC3GEIF4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160246-A1 Neurodegenerative Protein Aggregation Inhibition Methods and Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-06-30 US disclosed
US-7923230-B2 Diminishing presence of protein aggregates in an environment susceptible to formation of protein aggregate by introducing into environment a compound having two domains, a first domain that binds to protein aggregation having two monomers, and a second domain binding to diminishing protein THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 US disclosed
US-7485706-B2 Neurodegenerative protein aggregation inhibition methods and compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-02-03 US disclosed
US-20080182792-A1 NEURODEGENERATIVE PROTEIN AGGREGATION INHIBITION METHODS AND COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-07-31 US disclosed
US-20050209173-A1 Neurodegenerative protein aggregation inhibition methods and compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-22 US disclosed
WO-2005011610-A2 NEURODEGENERATIVE PROTEIN AGGREGATION INHIBITION METHODS AND COMPOUNDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-02-10 WO disclosed