SCHEMBL28807601

SCHEMBL28807601

CCCC(=O)Oc1c(CC)nn(Cc2ccc([N+](=O)[O-])cc2)c1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.38
ALDH1A1 P00352 2/20 0.38
P2RY14 Q15391 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
NR2F2 P24468 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL12466759 0.77 PTGDR2 (0.52) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL508765 0.75 PTGDR2 (0.51) PTGDR2
SCHEMBL28384556 0.74 PTGDR2 (0.40) LMNAHTTPDE4APDE4BPDE4C
SCHEMBL28384554 0.74 PTGDR2 (0.44) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL31395703 0.71 PTGDR2 (0.43) LMNAKMT2AMEN1PTGDR2ALDH1A1
SCHEMBL4219270 0.70 TGM2 (0.45) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14979169 0.69 ALDH1A1 (0.59) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL133257 0.69 BCL9 (1.00) BCL9CTNNB1LMNAHTTSMN1; SMN2
SCHEMBL27903175 0.69 LMNA (0.51) LMNAHTTPDE4APDE4BPDE4C
SCHEMBL26111924 0.68 BCL9 (0.97) BCL9CTNNB1LMNAHTTSMN1; SMN2

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
CN-103339125-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed