SCHEMBL31172125

SCHEMBL31172125

CN(CC(=O)OCc1cccnc1N(C)C(=O)OCCl)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.33
▸ SENP8 Q96LD8 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDK2 Q15119 1/20 0.31

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
SCHEMBL22636487 1.00 CASP3 (0.33) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL23218005 0.92 CASP3 (0.32) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL29773056 0.92 CASP3 (0.32) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL25020373 0.90 CASP3 (0.32) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL23698705 0.88 ALDH1A1 (0.35) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL28931092 0.88 GBA1 (0.35) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL7736866 0.87 CASP3 (0.32) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL29867943 0.87 CASP3 (0.32) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL17485426 0.87 NPC1 (0.35) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL23698605 0.81 HTT (0.35) CASP3SENP8SENP7SENP6ALDH1A1

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
EP-3999499-B1 PRODRUGS IN THE MODULATION OF INTERLEUKIN BRISTOL MYERS SQUIBB CO (US) 2024-09-04 — — EP disclosed
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