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SCHEMBL1387404

SCHEMBL1387404

C=CCOC1CC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C/C(CC)C(=O)CC(O)C2C)C(OC)CC3C)CCC1OCC(=O)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 20/20 0.82
▸ PPP3CA Q08209 2/20 0.78

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
SCHEMBL1387343 0.97 FKBP1A (0.88) FKBP1APPP3CA
SCHEMBL9110249 0.96 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL9110972 0.94 FKBP1A (0.84) FKBP1APPP3CA
SCHEMBL9110206 0.94 FKBP1A (0.84) FKBP1APPP3CA
SCHEMBL1387319 0.93 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL8780302 0.93 FKBP1A (0.95) FKBP1APPP3CA
SCHEMBL9112887 0.92 FKBP1A (0.87) FKBP1APPP3CA
SCHEMBL9111146 0.92 FKBP1A (0.87) FKBP1A
SCHEMBL9111716 0.91 FKBP1A (0.84) FKBP1APPP3CA
SCHEMBL1387205 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