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SCHEMBL9697635

SCHEMBL9697635

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(Oc4ccc5cc(OC)ccc5c4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.87
▸ MEN1 O00255 1/20 0.83
▸ LMNA P02545 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ THRB P10828 1/20 0.83
▸ FKBP4 Q02790 1/20 0.83
▸ ABCB11 O95342 1/20 0.80
▸ ADORA3 P0DMS8 1/20 0.80
▸ PPP3CA Q08209 3/20 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
SCHEMBL9696966 0.97 FKBP1A (0.82) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111335 0.97 FKBP1A (0.89) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9697814 0.96 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110999 0.96 FKBP1A (0.92) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110232 0.96 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9112326 0.95 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9108607 0.95 FKBP1A (0.87) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111498 0.94 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110335 0.94 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110366 0.94 FKBP1A (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 — — EP disclosed