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SCHEMBL1387406

SCHEMBL1387406

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(O)c4ccccc4)C(O)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 20/20 0.78
▸ PPP3CA Q08209 11/20 0.76

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
SCHEMBL1387523 0.94 FKBP1A (0.85) FKBP1APPP3CA
SCHEMBL1388975 0.94 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL1387376 0.94 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL1387424 0.93 FKBP1A (0.73) FKBP1APPP3CA
SCHEMBL9109941 0.92 FKBP1A (0.78) FKBP1APPP3CA
SCHEMBL9110996 0.92 FKBP1A (0.90) FKBP1APPP3CA
SCHEMBL9695740 0.91 FKBP1A (0.91) FKBP1A
SCHEMBL9237070 0.91 FKBP1A (0.78) FKBP1APPP3CA
SCHEMBL1387485 0.91 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL9710004 0.91 FKBP1A (0.83) 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