SCHEMBL1041291

SCHEMBL1041291

CCCCSC1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CYP19A1 P11511 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL11781070 0.95 ALDH1A1 (0.35) ALDH1A1CA1CA2CA4CYP1A2
SCHEMBL14508480 0.95 CA1 (0.39) ALDH1A1CA1CA2CA4CYP19A1
SCHEMBL28282307 0.88 CA1 (0.37) ALDH1A1CA1CA2CA4CYP1A2
SCHEMBL8879148 0.83 CA1 (0.42) ALDH1A1CA1CA2CA4HPGD
SCHEMBL14442071 0.75 CA1 (0.45) ALDH1A1CA1CA2CA4HPGD
SCHEMBL11540290 0.74 EPHX2 (0.40) ALDH1A1KMT2A
SCHEMBL21047841 0.69 CYP1A2 (0.33) CYP19A1HPGDCYP1A2
SCHEMBL15047825 0.69 CYP1A2 (0.41) CYP1A2
SCHEMBL9657952 0.69 CRBN (0.35) ALDH1A1CYP19A1HPGDCYP1A2KMT2A
SCHEMBL11612291 0.69

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
EP-1396534-B1 FLAVOURING COMPOSITION AND PROCESS FOR PRODUCING THE SAME SODA AROMATIC COMPANY LTD (JP) 2011-01-26 EP disclosed
US-7252849-B2 Perfume composition and process for producing the same SODA AROMATIC CO., LTD. (JP) 2007-08-07 US disclosed
CN-1316001-C Perfume composition and process for producing the same SODA AROMATIC (JP) 2007-05-16 CN disclosed
EP-1396534-A1 PERFUME COMPOSITION AND PROCESS FOR PRODUCING THE SAME SODA AROMATIC COMPANY, LIMITED (JP) 2004-03-10 EP disclosed
CN-1462306-A Perfume composition and process for producing the same SODA AROMATIC (JP) 2003-12-17 CN disclosed
US-20030157228-A1 Perfume composition and process for producing the same SODA AROMATIC CO., LTD. (JP) 2003-08-21 US disclosed