SCHEMBL7422008

SCHEMBL7422008

CCCOC(=O)C1C(c2ccc3c(c2)OCO3)CCCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 0.61
MTOR P42345 1/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42

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
SCHEMBL7433188 0.79 FKBP1A (0.59) FKBP1AMTORFKBP4FKBP5
SCHEMBL7424334 0.76 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL7912814 0.75 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL6049183 0.74 RIPK1 (0.44) FKBP1AMTORFKBP4FKBP5
SCHEMBL5966178 0.73 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL12311524 0.71 FKBP1A (0.67) FKBP1AMTORFKBP4FKBP5
SCHEMBL28331561 0.71 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5
SCHEMBL7938022 0.70 FKBP1A (0.65) FKBP1A
SCHEMBL5966165 0.70 FKBP1A (0.49) FKBP1A
SCHEMBL5966048 0.69 FKBP1A (0.63) FKBP1A

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-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed