SCHEMBL10985276

SCHEMBL10985276

CC(=O)N(CC1CO1)CC1CO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL27646070 0.89 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4LMNAHSD17B10
SCHEMBL16644927 0.84 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4
SCHEMBL10703734 0.82 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL8036232 0.81 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL11161265 0.80 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL10705644 0.80 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL11983877 0.79 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MEN1KMT2A
SCHEMBL30532510 0.79
SCHEMBL1499250 0.79
SCHEMBL16644930 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520175-A TIRE CORD; FIBERS; FILMS; MOLDING MATERIALS UNITIKA LTD. (JP) 1985-05-28 US claimed
JP-59191720-A None JP disclosed
US-4520175-A TIRE CORD; FIBERS; FILMS; MOLDING MATERIALS UNITIKA LTD. (JP) 1985-05-28 US disclosed
JP-S59191720-A PRODUCTION OF HEAT-RESISTANT POLYESTER UNITIKA LTD 1984-10-30 JP disclosed
EP-0094436-A1 N-GLYCIDYL-SUBSTITUTED AMIDE COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-11-23 EP disclosed