SCHEMBL24914859

SCHEMBL24914859

CON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(ON)C(C)(C)C2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL7476147 0.92 TSHR (0.39) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL22585044 0.86 TSHR (0.39) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL13554328 0.86 GAA (0.41) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL24915180 0.86 KMT2A (0.39) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL7471002 0.84 NAAA (0.45) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL17281376 0.82 TSHR (0.39) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL9192017 0.82 KMT2A (0.36) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL22585045 0.81 TSHR (0.47) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL19009135 0.80 TSHR (0.38) ALDH1A1ESR1HSD17B10KMT2AMEN1
SCHEMBL9195823 0.80 TSHR (0.38) ALDH1A1ESR1HSD17B10KMT2AMEN1

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
WO-2023001717-A1 AN ADDITIVE MIXTURE FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2023-01-26 WO disclosed