SCHEMBL7770588

SCHEMBL7770588

N#CCCOc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
KCNA3 P22001 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
ALDH3A1 P30838 1/20 0.34
KMT2A Q03164 2/20 0.34
MMP2 P08253 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
RECQL P46063 1/20 0.32
ESR1 P03372 1/20 0.31
ESRRG P62508 1/20 0.31
MEN1 O00255 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL27559192 0.89 GAA (0.46) GAAKCNA3MAPTALDH3A1HRH3
SCHEMBL11767977 0.88 GAA (0.68) GAAKCNA3ALDH1A1MAPTALDH3A1
SCHEMBL10785918 0.83 KCNA3 (0.43) GAAKCNA3ALDH1A1MAPTTAAR1
SCHEMBL38671 0.82 KCNA3 (0.58) GAAKCNA3ALDH1A1TAAR1RECQL
SCHEMBL31589172 0.82 GAA (0.61) GAAMMP2HRH3
SCHEMBL6574280 0.80 GAA (0.59) GAAALDH1A1MAPTMMP2HRH3
SCHEMBL919633 0.80 GAA (0.38) GAAKCNA3ALDH1A1KMT2ATAAR1
SCHEMBL22494 0.79 SYK (0.37) GAAALDH1A1
SCHEMBL11798746 0.78 GAA (0.58) GAAALDH1A1MAPTKMT2A
SCHEMBL10745573 0.78 GAA (0.58) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
CN-1301305-A Serine protease variants with amino acid substitutions PROCTER & GAMBLE (US) 2001-06-27 CN disclosed
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed
US-4820809-A COLORFAST BLUE DYES FOR POLYESTERS BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0169483-A2 Heterocyclic azo dyes BASF Aktiengesellschaft (DE) 1986-01-29 EP disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed