SCHEMBL9110243

SCHEMBL9110243

CCCOC1CCC(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)CC1OCCC

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.85
MEN1 O00255 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
KMT2A Q03164 1/20 0.74
THRB P10828 1/20 0.74
FKBP4 Q02790 1/20 0.74
PPP3CA Q08209 2/20 0.74
ABCB11 O95342 1/20 0.72
ADORA3 P0DMS8 1/20 0.72

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
SCHEMBL1388924 0.94 FKBP1A (0.75) FKBP1APPP3CA
SCHEMBL9110733 0.93 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780264 0.93 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093400 0.93 FKBP1A (0.86) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL1387376 0.93 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL8780271 0.93 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093071 0.93 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780288 0.92 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL14389791 0.92 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9695740 0.92 FKBP1A (0.91) 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 3 patents. 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
US-5250678-A For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents MERCK & CO., INC. (US) 1993-10-05 US disclosed
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP disclosed