SCHEMBL5282826

SCHEMBL5282826

CCC(C)(C)C(=O)C(=O)N1CCC[C@@]1(CCCc1cccc2ccccc12)C(O)=S

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.35
OPRK1 P41145 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL5283101 0.88 FKBP1A (0.36) FKBP1A
SCHEMBL6429261 0.86 FKBP1A (0.37) FKBP1A
SCHEMBL4680530 0.85 FKBP1A (0.37) FKBP1A
SCHEMBL5280472 0.84 FKBP1A (0.51) FKBP1A
SCHEMBL4678713 0.83 FKBP1A (0.48) FKBP1A
SCHEMBL4680570 0.80 FKBP1A (0.47) FKBP1A
SCHEMBL5275390 0.80 FKBP1A (0.39) FKBP1A
SCHEMBL5286050 0.80 FKBP1A (0.39) FKBP1A
SCHEMBL5274967 0.78 FKBP1A (0.38) FKBP1A
SCHEMBL4677132 0.78 FKBP1A (0.40) 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-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed