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SCHEMBL9112929

SCHEMBL9112929

C=CCOC1CCC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C/C(CC)C(=O)CCC2C)C(OC)CC3C)CC1O

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.88
▸ MEN1 O00255 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ THRB P10828 1/20 0.73
▸ FKBP4 Q02790 1/20 0.73
▸ ABCB11 O95342 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71

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
SCHEMBL8780271 0.96 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093672 0.96 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110733 0.96 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9695740 0.94 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709976 0.94 FKBP1A (0.79) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780295 0.94 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709826 0.93 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093101 0.92 FKBP1A (0.93) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709662 0.92 FKBP1A (0.79) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9573972 0.92 FKBP1A (0.74) 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