SCHEMBL8958759

SCHEMBL8958759

[CH2]CCOCCOCCOC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 3/20 0.60
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43

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
SCHEMBL8589476 1.00 ALDH1A1 (0.60) ALDH1A1TSHRTP53HIF1ACHRM5
Ethylene SCHEMBL2864475 0.87 ALDH1A1 (0.68) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL1121858 0.87 ALDH1A1 (0.75) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL4394240 0.87 ALDH1A1 (0.75) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL853024 0.87 ALDH1A1 (0.75) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL8862661 0.87 ALDH1A1 (0.75) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL8862742 0.87 ALDH1A1 (0.75) ALDH1A1TSHRTP53HIF1ACHRM5
SCHEMBL8769508 0.86 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL839374 0.86 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8769038 0.86 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed
EP-0400451-A1 Benzisothiazolazo dyes with a coupling component of thiazole or pyridine series BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed