SCHEMBL12148796

SCHEMBL12148796

CC(C)(C)OC(=O)NCCCCCCNC(=O)[C@H](CCCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.51
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CAPN1 P07384 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40
▸ GLP1R P43220 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SIRT2 Q8IXJ6 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
SCHEMBL16329593 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1SIRT5
SCHEMBL13647129 0.85 AKT1 (0.51) AKT1CA1CA2MEN1KMT2A
SCHEMBL16329598 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1GLP1R
SCHEMBL26445412 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1GLP1R
SCHEMBL22025537 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1GLP1R
SCHEMBL19541913 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1GLP1R
SCHEMBL16329597 0.85 GLP1R (0.45) AKT1CA1CA2CAPN1GLP1R
SCHEMBL16328767 0.84 TLR2 (0.42) AKT1CA1CA2GLP1R
SCHEMBL15607620 0.84 AKT1 (0.47) AKT1CA1CA2MEN1KMT2A
SCHEMBL22044586 0.84 AKT1 (0.48) AKT1CA1CA2MEN1KMT2A

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
US-8067005-B1 Divalent antibody fragments UCB PHARMA S.A. (BE) 2011-11-29 — — US disclosed
Send feedback