SCHEMBL8589909

SCHEMBL8589909

CCCCCCCCCCCCCCCCCCOC(=O)NN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
ACHE P22303 12/20 0.50
NAAA Q02083 3/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL8590406 0.98 EPHX1 (0.54) EPHX1ACHENAAAMAPTNPC1
SCHEMBL7194159 0.93 EPHX1 (0.59) EPHX1ACHENAAASMN1; SMN2MAPK1
SCHEMBL1383077 0.93 SMN1; SMN2 (0.50) EPHX1ACHEMAPTNPC1TP53
SCHEMBL3010245 0.92 SMN1; SMN2 (0.52) EPHX1ACHEMAPTNPC1TP53
SCHEMBL7750794 0.90 EPHX1 (0.46) EPHX1ACHENAAAMAPTNPC1
SCHEMBL7841197 0.90 SMN1; SMN2 (0.47) EPHX1ACHEMAPTNPC1TP53
SCHEMBL8586849 0.86 EPHX1 (0.51) EPHX1ACHENAAAMAPTNPC1
SCHEMBL5252398 0.84 EPHX1 (0.49) EPHX1ACHENAAASMN1; SMN2MAPK1
SCHEMBL5868672 0.78 LIPE (0.42) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL6381523 0.77 SMN1; SMN2 (0.40) EPHX1ACHEMAPTNPC1TP53

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-5817599-A COLORLESS DYE PRECURSOR AND REVERSIBLE COLOR DEVELOPER MITSUBISHI PAPER MILLS LIMITED (JP) 1998-10-06 US disclosed