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SCHEMBL9709936

SCHEMBL9709936

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(Oc4ccccc4)C(N)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.81
▸ PPP3CA Q08209 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ THRB P10828 1/20 0.70
▸ FKBP4 Q02790 1/20 0.70
▸ ABCB11 O95342 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68

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
SCHEMBL9597706 0.96 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9710004 0.94 FKBP1A (0.83) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111446 0.93 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9710033 0.93 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709966 0.92 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9597782 0.92 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9599559 0.92 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9598000 0.91 FKBP1A (0.78) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9597879 0.91 FKBP1A (0.79) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9710055 0.91 FKBP1A (0.79) 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-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 — — WO disclosed