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SCHEMBL9109110

SCHEMBL9109110

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 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.83
▸ MEN1 O00255 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ THRB P10828 1/20 0.77
▸ FKBP4 Q02790 1/20 0.77
▸ PPP3CA Q08209 1/20 0.77

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
SCHEMBL9110350 0.98 FKBP1A (0.79) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387243 0.96 FKBP1A (0.80) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111716 0.96 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111198 0.95 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387271 0.95 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387339 0.95 FKBP1A (0.82) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110354 0.95 FKBP1A (0.82) FKBP1APPP3CA
SCHEMBL1387296 0.95 FKBP1A (0.86) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110249 0.94 FKBP1A (0.89) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387320 0.94 FKBP1A (0.83) 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
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