SCHEMBL5545663

SCHEMBL5545663

O=C(C=CC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.56
PHGDH O43175 1/20 0.43
ADH1A P07327 6/20 0.41
ADH1C P00326 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
ADAM17 P78536 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADH4 P08319 1/20 0.37
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.37
GAA P10253 1/20 0.37
S1PR3 Q99500 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL5545662 1.00 TRPM8 (0.56) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL21891518 0.91 TRPM8 (0.50) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL9464393 0.87 TRPM8 (0.54) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL9464394 0.87 TRPM8 (0.54) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL5398789 0.83 TRPM8 (0.46) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL8171737 0.81 TRPM8 (0.49) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL647829 0.81 TRPM8 (0.45) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL8186154 0.78 TRPM8 (0.46) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL11838019 0.78 TRPM8 (0.42) TRPM8PHGDHADH1AADH1CKDM4E
SCHEMBL22100754 0.76 TRPM8 (0.73) TRPM8KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198202-B1 NOVEL N-CYCLOHEXYL-POLYCARBOXAMIDE COMPOUND AND DERIVATIVES THEREOF, PROCESSES FOR PREPARING THEM, AND USE OF THEM IN PREPARATION OF HOST-GUEST COMPLEXES MITSUBISHI CORPORATION (JP) 1991-07-17 EP claimed
US-4785111-A SEPARATION OF COMPOUNDS BY FORMATION OF INCLUSION COMPOUNDS MITSUBISHI CORPORATION (JP) 1988-11-15 US claimed
EP-0198202-A2 Novel N-cyclohexyl-polycarboxamide compound and derivatives thereof, processes for preparing them, and use of them in preparation of host-guest complexes MITSUBISHI CORPORATION (JP) 1986-10-22 EP claimed
JP-61271235-A None JP disclosed
US-20070003801-A1 Fuel cell SANYO ELECTRIC CO., LTD. 2007-01-04 US disclosed
EP-0198202-B1 NOVEL N-CYCLOHEXYL-POLYCARBOXAMIDE COMPOUND AND DERIVATIVES THEREOF, PROCESSES FOR PREPARING THEM, AND USE OF THEM IN PREPARATION OF HOST-GUEST COMPLEXES MITSUBISHI CORPORATION (JP) 1991-07-17 EP disclosed
US-4785111-A SEPARATION OF COMPOUNDS BY FORMATION OF INCLUSION COMPOUNDS MITSUBISHI CORPORATION (JP) 1988-11-15 US disclosed
JP-S61271235-A SEPARATING AGENT FOR PHENOLS OR THE LIKE, CONSISTING OF DICARBOXYLIC ACID AMIDE MITSUBISHI CORP 1986-12-01 JP disclosed