SCHEMBL9660982

SCHEMBL9660982

CCCCCCCN([C]=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.44
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
MGLL Q99685 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR2 Q9HBW0 1/20 0.34
GGPS1 O95749 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL11337994 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL302860 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9661643 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL270645 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9660234 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9661090 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL388594 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL303028 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL59942 0.98 DNM1 (0.40) DNM1TSHRTHRBMGLLCA12
SCHEMBL11667597 0.90 DNM1 (0.48) DNM1TSHRTHRBCA12CA1

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
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed