SCHEMBL3573607

SCHEMBL3573607

CC(C)(CO)CO.CC(O)CCCCCCCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
PSMD14 O00487 2/20 0.31
PLA2G1B P04054 2/20 0.31
MMP2 P08253 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 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
1,6-Hexanediol SCHEMBL9420266 0.91 LMNA (0.33) LMNAALDH1A1HSD17B10MEN1KMT2A
1,3-Butanediol SCHEMBL6914143 0.89 TDP1 (0.33) TDP1PTGS1KCNH2
1,6-Hexanediol SCHEMBL17272612 0.86 TDP1 (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10406986 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1
1,6-Hexanediol SCHEMBL15347446 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1
SCHEMBL830579 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1
SCHEMBL554360 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1
SCHEMBL424124 0.86
SCHEMBL13202549 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1
SCHEMBL19411359 0.86 LMNA (0.43) LMNAALDH1A1HSD17B10TRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691940-B2 Aqueous polyurethane resin and method for producing aqueous polyurethane resin and film MITSUI CHEMICALS, INC. (JP) 2010-04-06 US disclosed
US-20080045650-A1 Aqueous Polyurethane Resin and Method For Producing Aqueous Polyurethane Resin and Film MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2008-02-21 US disclosed
EP-1826226-A1 AQUEOUS POLYURETHANE RESIN, METHOD FOR PRODUCING AQUEOUS POLYURETHANE RESIN AND FILM Mitsui Chemicals Polyurethanes, Inc. (JP) 2007-08-29 EP disclosed