SCHEMBL28047267

SCHEMBL28047267

CCCCCCCCCCC(CN)OCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.55
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27358417 1.00 DNM1 (0.55) DNM1OPRM1ALDH1A1MEN1KMT2A
Fluoride SCHEMBL28204999 0.98 DNM1 (0.53) DNM1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL17254502 0.98 DNM1 (0.52) DNM1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL3623321 0.91 DNM1 (0.48) DNM1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL27378814 0.89 DNM1 (0.46) DNM1ALDH1A1MEN1KMT2A
SCHEMBL23270390 0.86 OPRM1 (0.46) DNM1OPRM1TSHRSPHK1
SCHEMBL20225052 0.86 OPRM1 (0.46) DNM1OPRM1TSHRSPHK1
SCHEMBL4557947 0.86 OPRM1 (0.46) DNM1OPRM1TSHRSPHK1
SCHEMBL6554404 0.86 OPRM1 (0.46) DNM1OPRM1TSHRSPHK1
SCHEMBL28744275 0.86 OPRM1 (0.46) DNM1OPRM1TSHRSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163712-A Translucent gel system RHODIA OPERATIONS 2015-12-16 CN claimed
CN-109152371-A Quaternary ammonium antiseptics composition with anionic antisludging agent 埃科莱布美国股份有限公司 2019-01-04 CN disclosed
CN-105163712-A Translucent gel system RHODIA OPERATIONS 2015-12-16 CN disclosed