Sugi Predict

Sugi Predict / Compounds / SCHEMBL22698633

SCHEMBL22698633

SCHEMBL22698633

COc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)Nc2ccc(COC(=O)Oc3ccc(N=O)cc3)cc2)(c2ccccc2)C2C=CC=CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.44
▸ KDM1A O60341 10/20 0.40
▸ MAOA P21397 7/20 0.40
▸ RCOR1 Q9UKL0 3/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ SIRT2 Q8IXJ6 6/20 0.40
▸ SIRT1 Q96EB6 5/20 0.40
▸ SIRT3 Q9NTG7 3/20 0.40
▸ MAOB P27338 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL22698598 0.88 HDAC8 (0.51) HDAC8SIRT2SIRT1SIRT3F2
SCHEMBL16847583 0.84 HDAC8 (0.55) HDAC8SIRT2SIRT1SIRT3F2
SCHEMBL18102693 0.78 SSTR3 (0.51) HDAC8SIRT2SIRT1SIRT3F2
SCHEMBL16847584 0.76 HDAC8 (0.57) HDAC8SIRT2SIRT1SIRT3F2
SCHEMBL20143906 0.76 HDAC8 (0.39) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL15704359 0.74 HDAC8 (0.46) HDAC8SIRT2SIRT1SIRT3
SCHEMBL15702069 0.72 SSTR3 (0.51) HDAC8SIRT2SIRT1SIRT3
SCHEMBL15702064 0.71 SSTR3 (0.52) HDAC8SIRT2SIRT1SIRT3
SCHEMBL12836787 0.71 SIRT5 (0.39) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL4154649 0.69 HDAC8 (0.80) HDAC8KDM1AMAOARCOR1KDM1B

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
Send feedback