SCHEMBL2812263

SCHEMBL2812263

CC(O)CCOC(=O)/C=C/C(=O)OCCC(C)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 8/20 0.47
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2814900 1.00 ATM (0.50) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2812265 0.92 HCAR2 (0.60) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2814903 0.92 HCAR2 (0.60) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2812266 0.92 HCAR2 (0.60) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL573682 0.90 ATM (0.41) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL573681 0.90 ATM (0.41) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL10355525 0.89 ATM (0.71) ATMHCAR2LMNATDP1MAPT
SCHEMBL2020090 0.88 ATM (0.39) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2475190 0.84 TDP1 (0.56) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2478667 0.84 TDP1 (0.56) ATMHCAR2LMNATDP1CHRNB2

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-20100240824-A1 POWDER COATING SUSPENSIONS (POWDER SLURRIES) AND POWDER COATING MATERIALS, THEIR PREPARATION AND USE BASF COATINGS AG (DE) 2010-09-23 US claimed