SCHEMBL9717909

SCHEMBL9717909

C=C(CCCOCCOC(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 5/20 0.47
THRB P10828 1/20 0.38
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 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

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
SCHEMBL8511576 0.89 THRB (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL8512375 0.89 THRB (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL9717919 0.89 ALDH1A1 (0.50) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL406198 0.89 ALDH1A1 (0.50) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL11126565 0.84 TSHR (0.39) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL2229640 0.81 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2TBXAS1CYP3A4
SCHEMBL289015 0.81 THRB (0.44) ALDH1A1TSHRTHRBSMN1; SMN2RAB9A
SCHEMBL33440 0.81 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2TBXAS1CYP3A4
SCHEMBL985177 0.81 TSHR (0.43) ALDH1A1TSHRTHRBCYP3A4MAPT
SCHEMBL33661 0.81 THRB (0.44) ALDH1A1TSHRTHRBSMN1; SMN2RAB9A

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 4 patents. 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 claimed
EP-0350030-A2 Hydrophilic copolymers, process for their preparation and their use CESKOSLOVENSKA AKADEMIE VED (CS) 1990-01-10 EP claimed
EP-0350030-B1 HYDROPHILIC COPOLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE CESKOSLOVENSKA AKADEMIE VED (CS) 1992-11-19 EP disclosed
EP-0350030-A2 Hydrophilic copolymers, process for their preparation and their use CESKOSLOVENSKA AKADEMIE VED (CS) 1990-01-10 EP disclosed