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Sugi Predict / Compounds / SCHEMBL7537467

SCHEMBL7537467

SCHEMBL7537467

CCC(C)(C)C(=O)C(=O)N1CCC(CCCc2ccc(OC)c(OC)c2)C1C(O)=S.CCC(C)(C)C(=O)C(=O)N1CCCC(C[C@H](C)c2cccc(F)c2)C1C(O)=S.CCC(C)(C)C(=O)C(=O)N1CCCCC1C(O)=S

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 0.52
▸ FKBP5 Q13451 6/20 0.52
▸ FKBP4 Q02790 5/20 0.52

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
SCHEMBL5275386 0.80 FKBP1A (0.41) FKBP1AFKBP5FKBP4
SCHEMBL5700677 0.79 FKBP1A (0.49) FKBP1AFKBP5FKBP4
SCHEMBL4676166 0.78 FKBP1A (0.44) FKBP1AFKBP5FKBP4
SCHEMBL5700586 0.72 FKBP1A (0.60) FKBP1AFKBP5FKBP4
SCHEMBL5284378 0.72 FKBP1A (0.40) FKBP1AFKBP5FKBP4
SCHEMBL5286046 0.72 FKBP1A (0.41) FKBP1AFKBP5FKBP4
SCHEMBL24535324 0.71 FKBP1A (0.84) FKBP1AFKBP5FKBP4
SCHEMBL19556859 0.70 FKBP1A (0.85) FKBP1AFKBP5FKBP4
SCHEMBL18714162 0.70 FKBP1A (0.85) FKBP1AFKBP5FKBP4
SCHEMBL7771830 0.70 FKBP1A (0.49) FKBP1AFKBP5FKBP4

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-1233945-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2002-08-28 — — EP disclosed
WO-2001038304-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 2001-05-31 — — WO disclosed