SCHEMBL27362435

SCHEMBL27362435

O=C(O)Cc1cc(C2CCCCC2)ccc1OI

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.44
KMO O15229 1/20 0.42
PTGDR2 Q9Y5Y4 12/20 0.41
PTGDR Q13258 4/20 0.41
PTGER2 P43116 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39

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
SCHEMBL27362430 0.78 ACMSD (0.63) ACMSDKMOPTGDR2PTGDRHAO1
SCHEMBL11389386 0.78 ACMSD (0.58) ACMSDKMOPTGDR2HAO1MITF
SCHEMBL11487284 0.78 MEN1 (0.51) ACMSDKMOPTGDR2HSD17B10PDE4A
SCHEMBL11724509 0.76 ACMSD (0.57) ACMSDKMOHAO1MITFKLF5
SCHEMBL8464577 0.76 ACMSD (0.46) ACMSDKMOPTGDR2PTGDRHAO1
SCHEMBL8462319 0.76 ACMSD (0.46) ACMSDKMOPTGDR2PTGDRHAO1
SCHEMBL27364716 0.72 ACMSD (0.41) ACMSDKMOPDE4APDE4BPDE4C
SCHEMBL27364715 0.72 CAMK2A (0.51) HSD17B10
SCHEMBL27376286 0.71 HSD17B10 (0.50) PTGDR2HSD17B10
SCHEMBL27355584 0.71 CHRM1 (0.54) PTGDR2PTGDRHSD17B10

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