SCHEMBL27362430

SCHEMBL27362430

O=C(O)c1cc(C2CCCCC2)ccc1OI

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.63
KMO O15229 1/20 0.49
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 3/20 0.43
TBK1 Q9UHD2 5/20 0.43
SERPINE1 P05121 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
IKBKE Q14164 2/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6535659 0.84 ACMSD (0.61) ACMSDKMOPDE4APDE4BPDE4C
SCHEMBL11775486 0.82 ACMSD (0.60) ACMSDKMOPDE4APDE4BPDE4C
SCHEMBL27528533 0.81 ACMSD (0.45) ACMSDKMOL3MBTL1SERPINE1PDE4A
SCHEMBL23374556 0.80 ACMSD (0.75) ACMSDKMOKDM4EGLAHTT
SCHEMBL27362435 0.78 ACMSD (0.44) ACMSDKMOPDE4APDE4BPDE4C
SCHEMBL27592891 0.78 ACMSD (0.62) ACMSDKMOKDM4EGLAHTT
SCHEMBL11773541 0.78 ACMSD (0.55) ACMSDPDE4APDE4BPDE4CPDE4D
SCHEMBL2533359 0.78 ACMSD (1.00) ACMSDKMOKDM4EGLAHTT
SCHEMBL27965931 0.78 ACMSD (1.00) ACMSDKMOKDM4EGLAHTT
SCHEMBL28283624 0.76 ACMSD (0.69) ACMSDKMOKDM4EGLAHTT

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
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed