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Sugi Predict / Compounds / SCHEMBL9110656

SCHEMBL9110656

SCHEMBL9110656

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(=O)c4ccccc4)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O)C(C)CC2OC

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 20/20 0.76
▸ PPP3CA Q08209 2/20 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
SCHEMBL9094374 0.95 FKBP1A (0.85) FKBP1APPP3CA
SCHEMBL9108687 0.93 FKBP1A (0.85) FKBP1A
SCHEMBL9110249 0.93 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL9092230 0.92 FKBP1A (0.78) FKBP1A
SCHEMBL1387343 0.92 FKBP1A (0.88) FKBP1APPP3CA
SCHEMBL8780294 0.92 FKBP1A (0.79) FKBP1APPP3CA
SCHEMBL9109580 0.92 FKBP1A (0.79) FKBP1APPP3CA
SCHEMBL9111553 0.91 FKBP1A (0.78) FKBP1APPP3CA
SCHEMBL9110936 0.91 FKBP1A (0.77) FKBP1APPP3CA
SCHEMBL8780263 0.91 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 2 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-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 — — EP disclosed