SCHEMBL6516459

SCHEMBL6516459

COCCOC(=O)C/C(C(=O)O)=C(\C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL6516464 1.00 EPHX2 (0.35) EPHX2SMN1; SMN2NPSR1KMT2ANPC1
SCHEMBL6524392 0.84 EPHX2 (0.37) EPHX2SMN1; SMN2KMT2AMEN1
SCHEMBL6524388 0.84 EPHX2 (0.37) EPHX2SMN1; SMN2KMT2AMEN1
SCHEMBL6518783 0.84 GAA (0.42) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6518779 0.84 GAA (0.42) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6516574 0.83 EPHX2 (0.37) EPHX2SMN1; SMN2NPSR1KMT2A
SCHEMBL6516582 0.83 EPHX2 (0.37) EPHX2SMN1; SMN2NPSR1KMT2A
SCHEMBL6519231 0.81 EPHX2 (0.33) EPHX2SMN1; SMN2NPSR1KMT2ANPC1
SCHEMBL6523102 0.78 TSHR (0.38) NPSR1KMT2AALDH1A1MEN1
SCHEMBL6523095 0.78 TSHR (0.38) NPSR1KMT2AALDH1A1MEN1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed