Sugi Predict

Sugi Predict / Compounds / SCHEMBL9709980

SCHEMBL9709980

SCHEMBL9709980

C=CCOC1CC(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)CCC1NN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.77
▸ PPP3CA Q08209 2/20 0.73
▸ MEN1 O00255 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ THRB P10828 1/20 0.70
▸ FKBP4 Q02790 1/20 0.70

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
SCHEMBL9710197 0.91 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709977 0.90 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709706 0.89 FKBP1A (0.87) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709991 0.88 FKBP1A (0.74) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9710176 0.88 FKBP1A (0.74) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780302 0.88 FKBP1A (0.95) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709942 0.88 FKBP1A (0.85) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780254 0.88 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9845153 0.87 FKBP1A (0.72) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780295 0.87 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT

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-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 — — WO disclosed