SCHEMBL25767140

SCHEMBL25767140

CCOC(=O)C1CCN(c2ncc(Br)cc2F)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 14/20 0.46
▸ ACACB O00763 1/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL25767141 0.80 MAPT (0.42) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL20565606 0.78 RIPK1 (0.39) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL29208723 0.73 SMN1; SMN2 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14338319 0.72 CYP2C19 (0.48) OPRK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23412602 0.70 MEN1 (0.52) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL27031420 0.70 GAA (0.49) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL30790318 0.70 GAA (0.49) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL5025161 0.70 MAPT (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL31583655 0.69 OPRK1 (0.44) OPRK1ACACB
SCHEMBL30754934 0.69 KMT2A (0.54) ACACBKDM4EALDH1A1MAPTMAPK1

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-2023116835-A1 MULTI-PROTEIN DEGRADATION AGENT HAVING IMIDE SKELETON 苏州开拓药业股份有限公司 2023-06-29 — — WO disclosed
Send feedback