SCHEMBL24744883

SCHEMBL24744883

COC(=O)c1cc(F)cc(OCC(=O)OC(C)(C)C)c1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33

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
SCHEMBL30938988 0.87 ALDH1A1 (0.36) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL24744882 0.84 ALDH1A1 (0.37) MTNR1AMTNR1BFFAR4PSEN1PSEN2
SCHEMBL30122007 0.84 ALDH1A1 (0.37) MTNR1AMTNR1BFFAR4PSEN1PSEN2
SCHEMBL20510109 0.80 FFAR4 (0.52) MTNR1AMTNR1BFFAR4PSEN1PSEN2
SCHEMBL24819289 0.80 SLC6A4 (0.38) MTNR1AMTNR1BFFAR4ALDH1A1HPGD
SCHEMBL20766650 0.79 KDM4E (0.42) FFAR4ALDH1A1HPGDPOLBMAPT
SCHEMBL24745569 0.79 MTNR1A (0.42) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL24816881 0.78 FFAR4 (0.36) FFAR4ALDH1A1HPGDPOLBMAPT
SCHEMBL19305473 0.77 FFAR4 (0.36) FFAR4ALDH1A1KDM4EKMT2ALMNA
SCHEMBL24745568 0.77 HPGD (0.39) MTNR1AMTNR1BPSEN1PSEN2APH1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347579-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2024-04-10 — — EP disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 — — WO disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 — — WO disclosed
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