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SCHEMBL9562667

SCHEMBL9562667

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)CCC1=O)C(C)CC2OC

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.83
▸ MEN1 O00255 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ THRB P10828 1/20 0.72
▸ FKBP4 Q02790 1/20 0.72
▸ ABCB11 O95342 1/20 0.70
▸ ADORA3 P0DMS8 1/20 0.70
▸ PPP3CA Q08209 2/20 0.65

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
SCHEMBL9110515 0.94 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110532 0.93 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709722 0.93 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9562829 0.93 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709694 0.93 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709900 0.92 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9574135 0.92 FKBP1A (0.69) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709826 0.92 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9599559 0.91 FKBP1A (0.80) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9597782 0.91 FKBP1A (0.80) 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