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SCHEMBL1387258

SCHEMBL1387258

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(=O)c4cc(C)cc(C(F)(F)F)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 4/20 0.75
▸ 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
SCHEMBL1387301 0.96 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387377 0.95 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387295 0.94 FKBP1A (0.88) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1388996 0.94 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387306 0.93 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387320 0.93 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9236429 0.92 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111716 0.91 FKBP1A (0.84) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9112887 0.91 FKBP1A (0.87) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387308 0.91 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A

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