SCHEMBL9717940

SCHEMBL9717940

CC(=O)OCCOCC/C=C(\C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9717911 1.00 ALDH1A1 (0.48) ALDH1A1TSHRALOX15TP53HIF1A
SCHEMBL6851323 0.90 CD81 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL6851328 0.90 CD81 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1696441 0.88 ALOX15 (0.47) ALDH1A1TSHRALOX15CHRM5CHRM1
SCHEMBL406199 0.88 ALOX15 (0.47) ALDH1A1TSHRALOX15CHRM5CHRM1
SCHEMBL15535508 0.88 CD81 (0.39) CD81
SCHEMBL8513260 0.86 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL8511612 0.86 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL8511578 0.86 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL8512378 0.86 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10

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
EP-0350030-B1 HYDROPHILIC COPOLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE CESKOSLOVENSKA AKADEMIE VED (CS) 1992-11-19 EP disclosed