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SCHEMBL9539671

SCHEMBL9539671

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O[Si](C)(C)C(C)(C)C)C(OCC(O)CO)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.75
▸ PPP3CA Q08209 8/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ THRB P10828 1/20 0.66
▸ FKBP4 Q02790 1/20 0.66
▸ ABCB11 O95342 1/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64

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
SCHEMBL8780337 0.94 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9093337 0.94 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9694365 0.93 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9541036 0.93 FKBP1A (0.77) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780276 0.93 FKBP1A (0.74) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9092821 0.92 FKBP1A (0.76) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8912659 0.91 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9695514 0.91 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9695526 0.90 FKBP1A (0.77) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9695531 0.89 FKBP1A (0.74) 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-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed