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Sugi Predict / Compounds / SCHEMBL9111999

SCHEMBL9111999

SCHEMBL9111999

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

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.89
▸ PPP3CA Q08209 11/20 0.89
▸ MEN1 O00255 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ MAPT P10636 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ THRB P10828 1/20 0.76
▸ FKBP4 Q02790 1/20 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
SCHEMBL9111713 0.98 FKBP1A (0.85) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9108422 0.96 FKBP1A (0.91) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9113032 0.96 FKBP1A (0.90) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1388894 0.95 FKBP1A (0.88) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387283 0.95 FKBP1A (0.87) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110996 0.95 FKBP1A (0.90) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110476 0.94 FKBP1A (0.93) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387267 0.94 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387485 0.94 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387328 0.94 FKBP1A (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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