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SCHEMBL9562829

SCHEMBL9562829

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

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.91
▸ MEN1 O00255 1/20 0.84
▸ LMNA P02545 1/20 0.84
▸ MAPT P10636 1/20 0.84
▸ KMT2A Q03164 1/20 0.84
▸ THRB P10828 1/20 0.84
▸ FKBP4 Q02790 1/20 0.84
▸ ABCB11 O95342 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.82
▸ PPP3CA Q08209 3/20 0.75

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
SCHEMBL16907225 0.96 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9845152 0.96 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9091840 0.95 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110831 0.94 FKBP1A (0.92) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9710107 0.93 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9562667 0.93 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709910 0.93 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709960 0.93 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9562883 0.92 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL20624391 0.92 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
EP-0532089-A1 N-heteroaryl, N-alkylheteroaryl, N-alkenylheteroaryl & N-alkynylheteroarylmacrolides MERCK & CO. INC. (US) 1993-03-17 — — EP disclosed