SCHEMBL9658779

SCHEMBL9658779

CCCCCCCCCCCCCCCCCCCCCCCCNC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 1.00
ADH1B P00325 4/20 1.00
ADH1A P07327 4/20 1.00
ADH7 P40394 4/20 1.00
ADH1C P00326 3/20 1.00
ADH4 P08319 2/20 1.00
TSHR P16473 3/20 0.55
ALDH1A1 P00352 1/20 0.55
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
S1PR2 O95136 2/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45

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
SCHEMBL303653 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL145544 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9660807 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9661679 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL302735 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9661848 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL58363 1.00
SCHEMBL4879688 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL305123 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL149028 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C

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 4 patents. 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
EP-0088386-B1 NEW 1,4-DIAMINOCYCLITOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-03 EP disclosed
US-4504472-A MICROBIOCIDES, IMMUNOSTIMULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-12 US disclosed
EP-0088386-A1 New 1,4-diaminocyclitol derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-14 EP disclosed