SCHEMBL28293411

SCHEMBL28293411

CC=CC(=O)Oc1c(CN)c(OCCC)c(-c2ccc3c(c2-c2c(OCCC)c(CN)c(OC(=O)C=CC)c(OCCC)c2OCCC)Cc2ccccc2-3)c(OCCC)c1OCCC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.32

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
SCHEMBL28034000 0.93 PNMT (0.35) PNMT
SCHEMBL28293410 0.93 NPC1 (0.30)
SCHEMBL28033430 0.85 PNMT (0.36) PNMT
SCHEMBL28033424 0.85 NPC1 (0.33)
SCHEMBL28293481 0.85 GABRP (0.32)
SCHEMBL28293476 0.84 PNMT (0.30) PNMT
SCHEMBL28033991 0.81 PNMT (0.34) PNMT
SCHEMBL28033968 0.78 PNMT (0.38) PNMT
SCHEMBL28033425 0.78 NPC1 (0.34) PNMT
SCHEMBL28293409 0.77 NPC1 (0.31)

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
CN-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed