SCHEMBL7739253

SCHEMBL7739253

CCCCCCCCCCC(NCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
NOD1 Q9Y239 3/20 0.45
KMT2A Q03164 2/20 0.44
ACE P12821 1/20 0.43
MMP3 P08254 2/20 0.42
MMP9 P14780 1/20 0.42
POLB P06746 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
CPB2 Q96IY4 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 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
SCHEMBL27554867 1.00 ZDHHC7 (0.47) ZDHHC7NOD1KMT2AACEMMP3
SCHEMBL27574677 1.00 ZDHHC7 (0.47) ZDHHC7NOD1KMT2AACEMMP3
SCHEMBL27512521 1.00 ZDHHC7 (0.47) ZDHHC7NOD1KMT2AACEMMP3
SCHEMBL27534343 1.00 ZDHHC7 (0.47) ZDHHC7NOD1KMT2AACEMMP3
SCHEMBL11332462 0.88 ZDHHC7 (0.46) ZDHHC7NOD1KMT2AACEPOLB
Water SCHEMBL7533665 0.86 ZDHHC7 (0.45) ZDHHC7NOD1KMT2AACEPOLB
SCHEMBL8312362 0.85 L3MBTL1 (0.44) NOD1KMT2AACEPOLBL3MBTL1
SCHEMBL5194277 0.84 ZDHHC7 (0.49) ZDHHC7NOD1KMT2AACEPOLB
SCHEMBL5191747 0.84 ZDHHC7 (0.49) ZDHHC7NOD1KMT2AACEPOLB
SCHEMBL27512861 0.84 ZDHHC7 (0.49) ZDHHC7NOD1KMT2AACEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020187915-A1 Surfactant composition KAO CORPORATION (JP) 2002-12-12 US disclosed