SCHEMBL27417403

SCHEMBL27417403

CCOC(=O)c1c(C)c(C2CC2)nn1CC12CC1CC(F)(F)C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FDFT1 P37268 1/20 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
SCHEMBL30975878 0.90 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975971 0.88 PLAT (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975816 0.74
SCHEMBL30975835 0.74 CNR2 (0.30)
SCHEMBL30958818 0.72 ALDH1A1 (0.34) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975948 0.71 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27417593 0.71 KMT2A (0.33) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30976004 0.70 ALDH1A1 (0.33) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975831 0.70 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975872 0.69 KMT2A (0.32) ALDH1A1TSHRGAAHTTHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126648-A1 SULFOXIMINES AS INHIBITORS OF NaV1.8 Grünenthal GmbH (DE) 2024-06-20 WO disclosed