SCHEMBL9108933

SCHEMBL9108933

CC=C(C)OC1CCC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C/C(CC)C(=O)CC(O)C2C)C(OC)CC3C)CC1O

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.87
MEN1 O00255 1/20 0.85
LMNA P02545 1/20 0.85
MAPT P10636 1/20 0.85
KMT2A Q03164 1/20 0.85
THRB P10828 1/20 0.85
FKBP4 Q02790 1/20 0.85
ABCB11 O95342 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
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
SCHEMBL9109195 0.96 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9709960 0.94 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111216 0.93 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL30674276 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL12632141 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL24741502 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9366583 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780272 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9371516 0.93 FKBP1A (1.00) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL10067238 0.93 FKBP1A (1.00) 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 5 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
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 WO disclosed
WO-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 WO 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