SCHEMBL7956550

SCHEMBL7956550

CCCCCN(CCCCC)C(=O)OC

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 0.43
EPHX1 P07099 4/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
KDM5A P29375 3/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 1/20 0.38
DNM1 Q05193 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KDM5C P41229 1/20 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
SCHEMBL7954410 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL25227711 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL31105843 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL25224503 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL25227867 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL25227059 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL25278347 0.98 CA12 (0.47) CA12CA1CA9CA2EPHX1
SCHEMBL304950 0.93 CA1 (0.52) CA12CA1CA9CA2EPHX1
SCHEMBL22294388 0.91 CA12 (0.48) CA12CA1CA9CA2EPHX1
SCHEMBL30205038 0.90 MGLL (0.48) CA12CA1CA9CA2EPHX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed