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SCHEMBL9695740

SCHEMBL9695740

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OC)C(O)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.91
▸ MEN1 O00255 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ MAPT P10636 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ THRB P10828 1/20 0.79
▸ FKBP4 Q02790 1/20 0.79
▸ ABCB11 O95342 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77

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
SCHEMBL9093101 0.96 FKBP1A (0.93) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111216 0.96 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110532 0.96 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9694294 0.95 FKBP1A (0.89) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780288 0.95 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL14389791 0.95 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9696400 0.95 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL16907238 0.95 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9112929 0.94 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8912659 0.94 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A

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-0480623-A1 New halomacrolides and derivatives having immunosuppressive activity MERCK & CO. INC. (US) 1992-04-15 — — EP disclosed