SCHEMBL31151805

SCHEMBL31151805

CCOC(=O)C1CCOC(c2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ FPR2 P25090 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12477256 0.79 AKR1C3 (0.39) POLBMAPT
SCHEMBL26580345 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL28110795 0.76 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL15897682 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL8424170 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL4763283 0.72 SLC6A4 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL6292687 0.72 SLC6A4 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL4763280 0.72 SLC6A4 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2187465 0.72 KMT2A (0.43) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL2295477 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AGAATSHRPOLB

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
CN-113631541-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-10-01 — — CN disclosed
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