SCHEMBL22271665

SCHEMBL22271665

C=Cc1ccc(C(OC(=O)[C@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)OCC2c3ccccc3-c3ccccc32)NC(=O)CCCCCCCCCCCCC(=O)O)(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ TLR2 O60603 7/20 0.39
▸ TLR1 Q15399 1/20 0.33
▸ GLO1 Q04760 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ FDFT1 P37268 1/20 0.31
▸ BCHE P06276 2/20 0.31
▸ ACHE P22303 2/20 0.31
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ EPOR P19235 1/20 0.31
▸ CACNA1F O60840 1/20 0.30
▸ CACNA1D Q01668 1/20 0.30
▸ CACNA1S Q13698 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30

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
SCHEMBL22271557 0.94 TLR2 (0.39) KMT2ATLR2TLR1GLO1BCHE
SCHEMBL20009584 0.92 KMT2A (0.47) KMT2ATLR2TLR1GLO1PTPN1
SCHEMBL17751723 0.92 KMT2A (0.47) KMT2ATLR2TLR1GLO1PTPN1
SCHEMBL22271686 0.88 KMT2A (0.39) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20013144 0.88 TLR2 (0.42) KMT2ATLR2TLR1GLO1BCHE
SCHEMBL20009555 0.86 TLR2 (0.40) KMT2ATLR2TLR1GLO1BCHE
SCHEMBL17751720 0.86 TLR2 (0.40) KMT2ATLR2TLR1GLO1BCHE
SCHEMBL20013276 0.82 KMT2A (0.42) KMT2ATLR2TLR1BCHEACHE
SCHEMBL20013097 0.82 KMT2A (0.43) KMT2ATLR2TLR1MDM4TP53
SCHEMBL22995924 0.81 KMT2A (0.54) KMT2ATLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP disclosed
EP-3218392-B1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-07-29 — — EP disclosed
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