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SCHEMBL9118564

SCHEMBL9118564

CCC1CCN2C(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C/CC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)C(C(C)=CC4CCC(O)(CC(=O)OCc5ccccc5)C(OC)C4)OC(=O)C2C1)C(OC)CC3C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.54
▸ PPP3CA Q08209 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ FKBP4 Q02790 1/20 0.47

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
SCHEMBL9118985 0.87 FKBP1A (0.71) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9117756 0.83 FKBP1A (0.54) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9119374 0.82 FKBP1A (0.66) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9288350 0.81 FKBP1A (0.71) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9118949 0.80 FKBP1A (0.69) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8911977 0.80 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9117778 0.78 FKBP1A (0.59) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8918978 0.76 FKBP1A (0.68) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109841 0.76 FKBP1A (0.65) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9116867 0.75 FKBP1A (0.45) FKBP1APPP3CAMEN1LMNAMAPT

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
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO disclosed