Sugi Predict

Sugi Predict / Compounds / SCHEMBL9110282

SCHEMBL9110282

SCHEMBL9110282

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(C)C)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 20/20 0.85
▸ PPP3CA Q08209 12/20 0.85

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
SCHEMBL9110996 0.97 FKBP1A (0.90) FKBP1APPP3CA
SCHEMBL1387485 0.97 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL1387523 0.95 FKBP1A (0.85) FKBP1APPP3CA
SCHEMBL1387282 0.94 FKBP1A (0.85) FKBP1APPP3CA
SCHEMBL1387205 0.93 FKBP1A (0.83) FKBP1APPP3CA
SCHEMBL1388975 0.93 FKBP1A (0.74) FKBP1APPP3CA
SCHEMBL9108422 0.92 FKBP1A (0.91) FKBP1APPP3CA
SCHEMBL9109180 0.92 FKBP1A (0.85) FKBP1APPP3CA
SCHEMBL9111999 0.92 FKBP1A (0.89) FKBP1APPP3CA
SCHEMBL1387267 0.92 FKBP1A (1.00) 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
EP-0683768-A1 UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-29 — — EP claimed
WO-1995008539-A1 IMPROVED METHODS FOR PREPARING BIS-IMIDE COMPOUNDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-30 — — WO claimed