SCHEMBL22698598

SCHEMBL22698598

COc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)Nc2ccc(COC(=O)Oc3ccc(N=O)cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.51
▸ SIRT2 Q8IXJ6 9/20 0.46
▸ SIRT1 Q96EB6 8/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46
▸ SIRT5 Q9NXA8 3/20 0.44
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL16847583 0.95 HDAC8 (0.55) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL18102693 0.90 SSTR3 (0.51) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL16847584 0.88 HDAC8 (0.57) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL22698633 0.88 HDAC8 (0.44) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL20143906 0.87 HDAC8 (0.39) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL15704359 0.85 HDAC8 (0.46) HDAC8SIRT2SIRT1SIRT3HDAC3
SCHEMBL15702069 0.83 SSTR3 (0.51) HDAC8SIRT2SIRT1SIRT3HDAC3
SCHEMBL15702064 0.82 SSTR3 (0.52) HDAC8SIRT2SIRT1SIRT3HDAC3
SCHEMBL12836787 0.82 SIRT5 (0.39) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL25361958 0.80 SSTR3 (0.50) HDAC8SIRT2SIRT1SIRT3SIRT5

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-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 — — EP disclosed
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