SCHEMBL27345261

SCHEMBL27345261

COC(=O)c1ccc(N2CCC(C(OC)OC)C2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SIRT6 Q8N6T7 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NOTUM Q6P988 4/20 0.34
OPRK1 P41145 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
USP30 Q70CQ3 2/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL26969619 1.00 ALDH1A1 (0.36) ALDH1A1SIRT6NR1H2NR1H3MTNR1A
SCHEMBL24320368 0.93 ALDH1A1 (0.40) ALDH1A1SIRT6OPRK1MAPTKDM4E
SCHEMBL24319289 0.91 ALDH1A1 (0.36) ALDH1A1SIRT6NR1H2NR1H3MAPT
SCHEMBL26969658 0.90 ALDH1A1 (0.36) ALDH1A1MTNR1AMTNR1BNOTUMMAPT
SCHEMBL27123984 0.90 ALDH1A1 (0.36) ALDH1A1MTNR1AMTNR1BNOTUMMAPT
SCHEMBL26648895 0.84 ALDH1A1 (0.42) ALDH1A1SIRT6OPRK1MAPTKDM4E
SCHEMBL27371699 0.83 SIRT6 (0.38) ALDH1A1SIRT6OPRK1MAPTKDM4E
SCHEMBL27194259 0.81 ALDH1A1 (0.35) ALDH1A1SIRT6KDM4ENPC1HPGD
SCHEMBL30680830 0.81 CHRM4 (0.42) ALDH1A1NR1H2NR1H3NOTUMMAPT
SCHEMBL27345252 0.81 CHRM4 (0.42) ALDH1A1NR1H2NR1H3NOTUMMAPT

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-2023245150-A1 KAT6 TARGETING COMPOUNDS WITH UBIQUITIN LIGASE BINDING MOIETY PRELUDE THERAPEUTICS INCORPORATED (US) 2023-12-21 WO disclosed