SCHEMBL9660696

SCHEMBL9660696

CCCCCCCCCCCCCCCCCCCCCCN[C]=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 2/20 0.43
THRB P10828 1/20 0.42
CASP2 P42575 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL4621467 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL58362 1.00
SCHEMBL149027 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL11109100 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10873634 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL146003 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL76962 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL148471 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10874788 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL9661841 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4

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