SCHEMBL6162958

SCHEMBL6162958

[CH2]C(=O)N(CCCCCCCCC)CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA2 P00918 1/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
MGLL Q99685 1/20 0.45
DNM1 Q05193 3/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
HDAC11 Q96DB2 3/20 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
SCHEMBL6162968 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL15766566 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6163862 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6164843 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6131093 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL5826286 0.98 CA12 (0.48) CA12CA1CA9CA2ZDHHC20
SCHEMBL15766432 0.91 MGLL (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL497912 0.90 CA12 (0.56) CA12CA1CA9CA2ZDHHC20
SCHEMBL498626 0.86 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL6547338 0.85 DNM1 (0.50) CA12CA1CA9CA2ZDHHC20

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-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed