SCHEMBL30889166

SCHEMBL30889166

CCC(C)(C)COC(=O)Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.33
SERPINE1 P05121 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
CTSK P43235 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
SCHEMBL222664 0.81 LMNA (0.57) LMNAHSD17B10ALOX15SERPINE1ALDH1A1
SCHEMBL6790179 0.81 SERPINE1 (0.33) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL14991075 0.80 ALDH1A1 (0.46) LMNAHSD17B10ALOX15SERPINE1ALDH1A1
SCHEMBL6790182 0.78 ALDH1A1 (0.48) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL4444268 0.78 LMNA (0.34) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL4444271 0.78 LMNA (0.34) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL30889142 0.77
SCHEMBL13686650 0.76 PRKCA (0.39) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL6721894 0.76 SERPINE1 (0.33) LMNAHSD17B10SERPINE1ALDH1A1CTSK
SCHEMBL6789266 0.76 NAAA (0.40) LMNAHSD17B10SERPINE1ALDH1A1TRPA1

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-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed