SCHEMBL24966524

SCHEMBL24966524

CCC(C)C(S)CCOC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MME P08473 2/20 0.37
ACE P12821 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
CHRNB2 P17787 5/20 0.36
CHRNA4 P43681 5/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL15437822 0.82 ALOX15 (0.47) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4759548 0.82 ALOX15 (0.47) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL15438141 0.80 ALOX15 (0.46) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL19896370 0.78 ALDH1A1 (0.46) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL20446689 0.77
SCHEMBL29655367 0.77
SCHEMBL4840226 0.75 ALOX15 (0.58) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL25341057 0.74 ALDH1A1 (0.54) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL25338387 0.74 ALOX15 (0.41) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9846050 0.73 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLMNAHSD17B10

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-20230022145-A1 GRAPE SKIN COMPOSITIONS AND COMPOUNDS, AND METHODS OF PREPARATION AND USE THEREFOR PHANTASM LIMITED (NZ) 2023-01-26 US disclosed