SCHEMBL2779992

SCHEMBL2779992

CCCOC(C)COC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 4/20 0.39
CHRM1 P11229 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
TBXA2R P21731 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 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
SCHEMBL896813 0.96 TDP1 (0.44) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL20210831 0.96 TDP1 (0.44) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL487419 0.96 TDP1 (0.44) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL8735437 0.88 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL5590900 0.85 TDP1 (0.44) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL895989 0.85 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL487273 0.85 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL20210844 0.85 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10LMNATSHR
SCHEMBL19064962 0.83 ALDH1A1 (0.47) ALDH1A1TDP1TSHRPRKCAFAAH
SCHEMBL6531010 0.83 ALDH1A1 (0.47) ALDH1A1TDP1TSHRPRKCAFAAH

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
WO-2010064746-A1 FILM COMPOSITION APM INC. (KR) 2010-06-10 WO disclosed
CN-1982425-A Detergent TOKYO OHKA KOGYO CO LTD (JP) 2007-06-20 CN disclosed
JP-2005134440-A RADIATION-SENSITIVE RESIN COMPOSITION, INTERLAYER INSULATING FILM AND MICROLENS JSR CORP 2005-05-26 JP disclosed