SCHEMBL7678905

SCHEMBL7678905

CCCC(C=O)NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSH P09668 1/20 0.31

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
SCHEMBL7678885 0.80
SCHEMBL16845343 0.78
SCHEMBL17298935 0.76 TDP1 (0.32) TDP1
SCHEMBL9728092 0.76 CTSK (0.33) CTSKCTSLCTSB
SCHEMBL9912454 0.76 TDP1 (0.34) TDP1
SCHEMBL19230493 0.75
SCHEMBL13527678 0.75
SCHEMBL7678621 0.75
SCHEMBL23463272 0.74 ALDH1A1 (0.35) CTSKTDP1
SCHEMBL19453369 0.74 CTSK (0.33) CTSKTSHR

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