Everolimus

Everolimus

SCHEMBL23063577

COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FKBP1A

The experimentally established mechanism targets of Everolimus. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A known ✓ P62942 9/20 0.87
MTOR P42345 7/20 1.00
ABCC3 O15438 2/20 1.00
ABCC4 O15439 2/20 1.00
ABCB11 O95342 2/20 1.00
ABCC2 Q92887 2/20 1.00
RPTOR Q8N122 2/20 1.00
MLST8 Q9BVC4 2/20 1.00
KCNE1 P15382 1/20 1.00
KCNQ1 P51787 1/20 1.00
MAPT P10636 3/20 0.87
ALDH1A1 P00352 1/20 0.87
DYRK1B Q9Y463 1/20 0.86

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
Everolimus SCHEMBL22813561 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL23251030 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL20759396 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL25481687 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL23552755 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL23251039 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL24472605 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL23747774 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL22882345 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Everolimus SCHEMBL21091316 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2

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-3788369-A1 BIOMARKERS FOR EVALUATING CAR-T CELLS TO PREDICT CLINICAL OUTCOME NOVARTIS AG (CH) 2021-03-10 EP disclosed