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SCHEMBL8780260

SCHEMBL8780260

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCc4cccc(C=O)c4)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O)C(C)CC2OC

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.76
▸ PPP3CA Q08209 4/20 0.70
▸ MEN1 O00255 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ FKBP4 Q02790 1/20 0.67

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
SCHEMBL8780300 0.94 FKBP1A (0.77) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111933 0.94 FKBP1A (0.77) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110936 0.93 FKBP1A (0.77) FKBP1APPP3CA
SCHEMBL8780294 0.90 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9572281 0.90 FKBP1A (0.71) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9238327 0.90 FKBP1A (0.78) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780280 0.90 FKBP1A (0.75) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109580 0.90 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9112300 0.90 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110287 0.90 FKBP1A (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 — — EP disclosed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 — — EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed