SCHEMBL8650950

SCHEMBL8650950

CCCC(CCOC(C)=O)SC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33

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
SCHEMBL8653914 0.88 HDAC3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HDAC3
SCHEMBL112653 0.84 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL8646969 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL111396 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL8648712 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL17982595 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL8651919 0.77 HDAC3 (0.36) ALDH1A1ALOX15CHRNB2CHRNB4CHRNA3
SCHEMBL8649174 0.77 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL3242059 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL3242057 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRLMNAHSD17B10

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
US-5830846-A FOODS, COSMETICS HAARMANN & REIMER GMBH (DE) 1998-11-03 US disclosed