SCHEMBL7743978

SCHEMBL7743978

CC(=O)OC(C)C=O.CC(=O)OCCC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRM1 P11229 3/20 0.34
SMN1; SMN2 Q16637 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
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 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
SCHEMBL1882084 0.82
SCHEMBL7319838 0.80
SCHEMBL18256727 0.80
SCHEMBL92797 0.80
SCHEMBL527578 0.80
SCHEMBL7319830 0.78
SCHEMBL7262925 0.71 ALOX15 (0.52) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL11309594 0.70 HPGD (0.40) ALOX15TDP1TSHRALDH1A1CHRM1
SCHEMBL8007782 0.70 ALOX15 (0.71) ALOX15TDP1TSHRALDH1A1CHRM1
SCHEMBL11309601 0.70 HPGD (0.40) ALOX15TDP1TSHRALDH1A1CHRM1

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
EP-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP disclosed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP disclosed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO disclosed