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Sugi Predict / Compounds / SCHEMBL9110555

SCHEMBL9110555

SCHEMBL9110555

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(O)c4ccc5ccccc5c4)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O)C(C)CC2OC

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.88
▸ PPP3CA Q08209 12/20 0.88
▸ MEN1 O00255 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ KMT2A Q03164 1/20 0.66

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
SCHEMBL9111553 0.95 FKBP1A (0.78) FKBP1APPP3CA
SCHEMBL1387267 0.93 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780276 0.90 FKBP1A (0.74) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780294 0.90 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109580 0.89 FKBP1A (0.79) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780263 0.89 FKBP1A (0.76) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8780280 0.89 FKBP1A (0.75) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9094374 0.89 FKBP1A (0.85) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110656 0.88 FKBP1A (0.76) FKBP1APPP3CA
SCHEMBL8780274 0.88 FKBP1A (0.81) 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-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 — — WO disclosed