SCHEMBL7675720

SCHEMBL7675720

CC(C)CNCCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.46
ADH1A P07327 4/20 0.46
ADH1C P00326 3/20 0.46
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
CA2 P00918 1/20 0.35
ADH7 P40394 3/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
EPHX1 P07099 2/20 0.33
ADH4 P08319 1/20 0.33
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL7673247 0.93 ADH1B (0.48) ADH1BADH1AADH1CTSHRHIF1A
SCHEMBL7676604 0.83
SCHEMBL9624660 0.83 HRH4 (0.47) ADH1BADH1AADH1CTSHRHRH4
SCHEMBL1962476 0.82 ADH1B (0.58) ADH1BADH1AADH1CHRH4HRH3
SCHEMBL24379824 0.80 HRH4 (0.48) ADH1BADH1AADH1CTSHRHRH4
SCHEMBL5298781 0.80 HRH4 (0.48) ADH1BADH1AADH1CTSHRHRH4
SCHEMBL2483497 0.80 HRH4 (0.48) ADH1BADH1AADH1CTSHRHRH4
SCHEMBL2478778 0.77 HRH4 (0.42) ADH1BADH1AADH1CTSHRHRH4
SCHEMBL23542569 0.77 PPARA (0.44) TSHRFAAHTRPV1
SCHEMBL1960605 0.76 ADH1B (0.64) ADH1BADH1AADH1CHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed