SCHEMBL9706112

SCHEMBL9706112

CCCC(O)C1C(CO)CC1n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.44
BLM P54132 1/20 0.44
TK2 O00142 1/20 0.41

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
SCHEMBL9706133 0.91 TK1 (0.48) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9706120 0.88 LMNA (0.45) TK1LMNATK2
SCHEMBL9706089 0.87 TK1 (0.51) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9706162 0.83 TK1 (0.56) TK1BLMTK2
SCHEMBL9706294 0.81 SLC28A1 (0.39) TK1
SCHEMBL9310153 0.80 TK1 (0.60) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9706167 0.78 LMNA (0.49) TK1LMNAADRA1ATK2
SCHEMBL8689341 0.78 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10516729 0.78 TK1 (0.57) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10514914 0.78 TK1 (0.57) TK1ALDH1A1LMNAALBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481320-A1 Novel cyclobutane derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-22 EP disclosed