SCHEMBL30889154

SCHEMBL30889154

CC(C)(C)CCOC(=O)Br

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 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
SCHEMBL225621 0.80 LMNA (0.48) LMNAHSD17B10CYP2C19EGFR
SCHEMBL607857 0.79 ALDH1A1 (0.41) LMNAHSD17B10ALDH1A1EGFRGAA
SCHEMBL10854964 0.78 CYP2C19 (0.56) CYP2C19TRPA1ALDH1A1L3MBTL1
SCHEMBL4229823 0.77 ALDH1A1 (0.48) LMNAHSD17B10ALDH1A1GAA
SCHEMBL4452351 0.77 EGFR (0.31) LMNAHSD17B10EGFRGAA
SCHEMBL6725575 0.77 EGFR (0.31) LMNAHSD17B10EGFRGAA
SCHEMBL4452350 0.77 EGFR (0.31) LMNAHSD17B10EGFRGAA
SCHEMBL1394492 0.75 ALDH1A1 (0.31) LMNAHSD17B10ALDH1A1EGFRGAA
SCHEMBL225620 0.75 EGFR (0.33) LMNAHSD17B10EGFRGAA
SCHEMBL6790424 0.75 EGFR (0.31) LMNAHSD17B10EGFRGAA

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