SCHEMBL5568334

SCHEMBL5568334

CCCCn1nc(C(=O)O)cc1CCCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
CNR1 P21554 6/20 0.41
CNR2 P34972 6/20 0.41
HCAR3 P49019 3/20 0.39
HCAR2 Q8TDS4 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4928436 0.87 CNR1 (0.49) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL20461114 0.84 CNR1 (0.45) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL1234393 0.81 PTGER1 (0.40) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL1233694 0.80 PTGER1 (0.39) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL1234199 0.80 PTGER1 (0.39) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL11365648 0.78 HCAR2 (0.49) PTGER1CNR1CNR2HCAR3HCAR2
SCHEMBL1232628 0.78 PTGER1 (0.45) PTGER1CNR1CNR2HCAR3SMPD1
SCHEMBL1234136 0.77 CNR1 (0.36) PTGER1CNR1CNR2L3MBTL1SMPD1
SCHEMBL1233607 0.77 PTGER1 (0.35) PTGER1HCAR3HCAR2KDM4EMEN1
SCHEMBL27740912 0.76 KDM4E (0.51) PTGER1CNR1CNR2HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed