SCHEMBL31189245

SCHEMBL31189245

CC(C)(C)OC(=O)Cc1cn(CC(C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2cccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.34
▸ TPSD1 Q9BZJ3 2/20 0.34
▸ TPSG1 Q9NRR2 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ KCNA5 P22460 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32

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
SCHEMBL19410144 1.00 TPSAB1 (0.34) TPSAB1TPSD1TPSG1L3MBTL1TSHR
SCHEMBL19427093 0.89 MAPT (0.31) POLBMAPTXBP1NPSR1TDP1
SCHEMBL19410228 0.89 MTNR1A (0.33) TPSAB1TPSD1TPSG1L3MBTL1HTR6
SCHEMBL19410193 0.87 L3MBTL1 (0.44) TPSAB1TPSD1TPSG1L3MBTL1HTR6
SCHEMBL19410146 0.78 SLC7A5 (0.38) L3MBTL1MAPTHTR6MTNR1AMTNR1B
SCHEMBL19410199 0.75 PLK1 (0.46) L3MBTL1MAPTMTNR1AMTNR1B
SCHEMBL19410213 0.73 ALDH1A1 (0.43) TPSAB1TPSD1TPSG1L3MBTL1TSHR
SCHEMBL19410194 0.71 PLK1 (0.42) L3MBTL1HTR6
SCHEMBL16284728 0.71 SYK (0.50) TPSAB1TPSD1TPSG1L3MBTL1RAB9A
SCHEMBL19410169 0.70 SLC16A3 (0.36) TPSAB1TPSD1TPSG1NPSR1SYK

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-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 — — EP disclosed
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