SCHEMBL7678770

SCHEMBL7678770

CCCNC(C)CCC=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.42
ADH1A P07327 5/20 0.42
ADH7 P40394 4/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
ADH1C P00326 4/20 0.36
ADH4 P08319 2/20 0.36
EPHX1 P07099 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL7677961 0.87 ADH1B (0.46) ADH1BADH1AADH7ALDH1A1TSHR
SCHEMBL7676857 0.81
SCHEMBL16850409 0.80 TSHR (0.40) ALDH1A1TSHRSIGMAR1
SCHEMBL3360146 0.79 ADH1B (0.53) ADH1BADH1AADH7ALDH1A1TSHR
SCHEMBL7675441 0.79
SCHEMBL20902982 0.78 SIGMAR1 (0.42) ADH1BADH1AADH7ALDH1A1TSHR
SCHEMBL8262545 0.78
SCHEMBL3664048 0.78
SCHEMBL22054367 0.76 TSHR (0.42) ADH1BADH1AADH7TSHRSIGMAR1
Hydrochloric Acid SCHEMBL22575434 0.75 SIGMAR1 (0.43) TSHRSIGMAR1HTTSMN1; SMN2HTR2A

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