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SCHEMBL1387271

SCHEMBL1387271

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(=O)c4cccc(C#N)c4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.81
▸ PPP3CA Q08209 2/20 0.76
▸ MEN1 O00255 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ MAPT P10636 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ THRB P10828 1/20 0.75
▸ FKBP4 Q02790 1/20 0.75

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
SCHEMBL9109110 0.95 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111716 0.94 FKBP1A (0.84) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111198 0.94 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387296 0.93 FKBP1A (0.86) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387339 0.93 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110354 0.93 FKBP1A (0.82) FKBP1APPP3CA
SCHEMBL9110249 0.93 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387243 0.93 FKBP1A (0.80) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387343 0.93 FKBP1A (0.88) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9108877 0.92 FKBP1A (0.81) FKBP1APPP3CA

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
JP-H09503507-A — — 1997-04-08 — — JP claimed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 — — WO claimed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 — — WO disclosed