SCHEMBL5773798

SCHEMBL5773798

CC(C)(CC(O)(C=O)C(F)(F)F)C1=COC(c2ccccc2)O1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.31

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
SCHEMBL6404843 0.81 NR1H2 (0.32)
SCHEMBL3533193 0.73 NR3C2 (0.43)
SCHEMBL5776726 0.73 TSHR (0.38) SIRT1
SCHEMBL5778087 0.66 HSD11B1 (0.39)
SCHEMBL3536598 0.66 NR3C1 (0.39)
SCHEMBL3532068 0.64 NR3C2 (0.49)
SCHEMBL3537462 0.64 KMT2A (0.44)
SCHEMBL5926004 0.64 HSD11B1 (0.40)
SCHEMBL5779323 0.63 AOC2 (0.40)
SCHEMBL6404388 0.62 NR3C1 (0.36)

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-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed