SCHEMBL2316019

SCHEMBL2316019

Nc1cc(O)cc(CC=O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP19A1 P11511 1/20 0.32
HSP90AB1 P08238 1/20 0.31
LTA4H P09960 1/20 0.31
CBS P35520 1/20 0.31
ENPP2 Q13822 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9106098 0.84 ACHE (0.50) ACHECA12CA1CA2CA7
SCHEMBL6426051 0.77 ACHE (0.42) ACHECA12ALDH1A1CA1CA2
SCHEMBL4936785 0.75 ACHE (0.67) ACHECA12ALDH1A1CA1CA2
SCHEMBL20101128 0.75 ENPP2 (0.48) ACHECA12ALDH1A1CA1CA2
SCHEMBL13492226 0.74 GPR84 (0.39) ACHECA12ALDH1A1CA1CA2
SCHEMBL13224699 0.74 ALDH1A1 (0.50) ACHEALDH1A1TDP1HSP90AB1THRB
SCHEMBL4780801 0.74 ERN1 (0.36) ACHETDP1HSP90AB1LTA4HCBS
SCHEMBL13224583 0.74 CA12 (0.50) ACHECA12CA1CA9HSP90AB1
SCHEMBL25132436 0.73 ACHE (0.44) ACHECA12ALDH1A1CA1CA2
SCHEMBL15805541 0.73 ACHE (0.39) ACHECA12ALDH1A1CA1CA2

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-2529023-A1 MICROORGANISM PRODUCTION OF HIGH-VALVE CHEMICAL PRODUCTS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX Biotechnologies Inc. (US) 2012-12-05 EP disclosed
WO-2011094457-A1 MICROORGANISM PRODUCTION OF HIGH-VALVE CHEMICAL PRODUCTS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES, INC. (US) 2011-08-04 WO disclosed