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Sugi Predict / Compounds / SCHEMBL9239771

SCHEMBL9239771

SCHEMBL9239771

CCC1CCCC2C(=O)OC(C(C)=CC3CCC(OCC(O)c4ccccc4)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC(=O)C/C=C(\C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N12)C(C)CC3OC

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 20/20 0.56
▸ PPP3CA Q08209 12/20 0.56

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 0.84 FKBP1A (0.78) FKBP1APPP3CA
SCHEMBL9116867 0.84 FKBP1A (0.45) FKBP1APPP3CA
SCHEMBL9109913 0.82 FKBP1A (0.66) FKBP1APPP3CA
SCHEMBL9709895 0.82 FKBP1A (0.65) FKBP1APPP3CA
SCHEMBL9110555 0.80 FKBP1A (0.88) FKBP1APPP3CA
SCHEMBL9110996 0.77 FKBP1A (0.90) FKBP1APPP3CA
SCHEMBL9111194 0.77 FKBP1A (0.70) FKBP1APPP3CA
SCHEMBL1387485 0.77 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL8780276 0.76 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL9110656 0.76 FKBP1A (0.76) FKBP1APPP3CA

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