SCHEMBL2534633

SCHEMBL2534633

C=C(C)C(=O)NCCOCCOCCOCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 5/20 0.41
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
RECQL P46063 1/20 0.39
CES2 O00748 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
SCHEMBL555013 1.00 ACHE (0.43) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL554259 0.98 ACHE (0.44) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL28566463 0.93 TSHR (0.50) ACHETHRBMEN1KMT2ATSHR
SCHEMBL4853585 0.93 SMN1; SMN2 (0.48) ACHESMN1; SMN2TSHRMAPTHSD17B10
SCHEMBL4854125 0.89 THRB (0.44) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL18016179 0.89 MEN1 (0.50) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL13862904 0.89 MEN1 (0.50) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL26085057 0.88 ACHE (0.42) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL13862864 0.87 MEN1 (0.41) ACHETHRBMEN1KMT2ASMN1; SMN2
SCHEMBL8949910 0.87 THRB (0.41) ACHETHRBMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-8043423-B2 Pigment dispersion liquid, ink jet recording ink, ink jet recording method, ink cartridge and ink jet recording apparatus CANON FINETECH INC. (JP) 2011-10-25 US disclosed
US-20100021635-A1 PIGMENT DISPERSION LIQUID, INKJET RECORDING INK, INKJET RECORDING METHOD, INK CARTRIDGE AND INKJET RECORDING APPARATUS CANON FINETECH INC. (JP) 2010-01-28 US disclosed
US-20090162552-A1 PIGMENT DISPERSION LIQUID, INK JET RECORDING INK, INK JET RECORDING METHOD, INK CARTRIDGE AND INK JET RECORDING APPARATUS CANON FINETECH INC. (JP) 2009-06-25 US disclosed