SCHEMBL23974353

SCHEMBL23974353

CCc1cn(CCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc2ccc(COC=O)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.43
▸ MAPK1 P28482 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ DGAT1 O75907 1/20 0.34
▸ F2RL1 P55085 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 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
SCHEMBL23974348 0.80 OPRM1 (0.35) FOLH1OPRM1OPRD1OPRK1DGAT1
SCHEMBL22300339 0.79 GBA1 (0.36) FOLH1OPRM1OPRD1OPRK1DGAT1
SCHEMBL23974239 0.78 OPRM1 (0.38) FOLH1OPRM1OPRD1OPRK1DGAT1
SCHEMBL23974072 0.76 FOLH1 (0.41) FOLH1MAPK1OPRM1OPRD1OPRK1
SCHEMBL24491154 0.76 FOLH1 (0.38) FOLH1MAPK1CA12CA1CA2
SCHEMBL24491200 0.76 FOLH1 (0.36) FOLH1MAPK1RAB9ANPC1CA12
SCHEMBL22299956 0.74 FOLH1 (0.38) FOLH1MAPK1OPRM1OPRD1OPRK1
SCHEMBL2358722 0.73 GBA1 (0.38) OPRM1OPRD1OPRK1DGAT1F2RL1
SCHEMBL12342507 0.73 TTR (0.51) FOLH1MAPK1MGAMOPRM1RAB9A
SCHEMBL12342495 0.72 TTR (0.42) FOLH1MAPK1MGAMOPRM1RAB9A

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-3903825-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF Coherent Biopharma (Suzhou), Limited (CN) 2021-11-03 — — EP disclosed
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