SCHEMBL8931748

SCHEMBL8931748

CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.71
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 1/20 0.45
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
CCR1 P32246 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
SCHEMBL8931127 0.96 DGAT1 (0.72) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL7886309 0.90 DGAT1 (0.74) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL8756456 0.87 DGAT1 (0.81) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL7883247 0.86 DGAT1 (0.71) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL9386404 0.85 DGAT1 (0.70) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL13218553 0.83 DGAT1 (1.00) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL8755567 0.83 DGAT1 (0.69) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL8756019 0.83 DGAT1 (0.69) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL13218506 0.83 DGAT1 (0.66) DGAT1LMNAALDH1A1MAPTKDM4E
SCHEMBL17249820 0.82 DGAT1 (0.68) DGAT1LMNAALDH1A1MAPTKDM4E

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
US-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US disclosed