SCHEMBL7605098

SCHEMBL7605098

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)N=N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
MGLL Q99685 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
DNM1 Q05193 3/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
TSHR P16473 3/20 0.37
GPR84 Q9NQS5 3/20 0.37
HDAC11 Q96DB2 3/20 0.37

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
SCHEMBL7611225 1.00 CA12 (0.45) CA12CA1CA9CA2MGLL
SCHEMBL4389045 0.79 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL27669660 0.79 CA12 (0.45) CA12CA1CA9CA2MGLL
SCHEMBL55097 0.78 CA12 (0.52) CA12CA1CA9CA2MGLL
SCHEMBL7652811 0.78 CA12 (0.52) CA12CA1CA9CA2MGLL
SCHEMBL2330737 0.78 CA12 (0.52) CA12CA1CA9CA2MGLL
SCHEMBL2547203 0.76 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL292339 0.76 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL3842358 0.76 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL4809167 0.76 CA12 (0.50) CA12CA1CA9CA2MGLL

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-0981959-B1 Stable 3-isothiazolone compositions ROHM & HAAS (US) 2002-10-30 EP claimed
US-6153633-A Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-11-28 US claimed
EP-0981959-A1 Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-03-01 EP claimed
EP-0981959-B1 Stable 3-isothiazolone compositions ROHM & HAAS (US) 2002-10-30 EP disclosed
US-6153633-A Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-11-28 US disclosed
EP-0981959-A1 Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-03-01 EP disclosed