SCHEMBL12629239

SCHEMBL12629239

O=C(OCOC1CCCCC1)C1CC2CCC1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.35
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
EPHX2 P34913 2/20 0.31

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
SCHEMBL12190131 0.80 POLB (0.42) POLBEPHX1NPC1RAB9AMEN1
SCHEMBL2064936 0.79 POLB (0.43) POLBEPHX1NPC1RAB9AMEN1
SCHEMBL21895381 0.78 POLB (0.44) POLBEPHX1NPC1RAB9AMEN1
SCHEMBL12228749 0.77 POLB (0.44) POLBEPHX1NPC1RAB9AMEN1
SCHEMBL12190133 0.75 POLB (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL31178057 0.74 POLB (0.49) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL13080618 0.74 POLB (0.49) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL1862636 0.74 POLB (0.49) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL14616626 0.74 HTT (0.31) EPHX1TP53CYP3A4HTT
SCHEMBL13344495 0.73 ALDH1A1 (0.44) EPHX1MEN1KMT2AALDH1A1MAPT

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
US-7939243-B2 Resin, resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2011-05-10 US disclosed
US-20100159389-A1 RESIN, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2010-06-24 US disclosed