SCHEMBL28293476

SCHEMBL28293476

CC=CC(=O)Oc1c(OCCC)cc(-c2ccc3c(c2-c2cc(OCCC)c(OC(=O)C=CC)c(CN)c2OCCC)Cc2ccccc2-3)c(OCCC)c1CN

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL28293409 0.93 NPC1 (0.31) NPC1RAB9A
SCHEMBL28033991 0.93 PNMT (0.34) PNMTNPC1RAB9AHTR2A
SCHEMBL28295193 0.92 LTB4R (0.32) NPC1RAB9A
SCHEMBL28033426 0.86 GSTA1 (0.34) NPC1RAB9AHTR2A
SCHEMBL28033427 0.84 PNMT (0.36) PNMTNPC1RAB9AHTR2A
SCHEMBL28293411 0.84 PNMT (0.32) PNMT
SCHEMBL28034000 0.82 PNMT (0.35) PNMTNPC1RAB9AHTR2A
SCHEMBL28822441 0.79 LMNA (0.38) PNMTNPC1RAB9AHTR2A
SCHEMBL28033429 0.77 GABRP (0.34) NPC1RAB9A
SCHEMBL28293410 0.77 NPC1 (0.30) NPC1RAB9A

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