SCHEMBL6681697

SCHEMBL6681697

CCc1nn(CCO)c(OC)c1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CRHR1 P34998 1/20 0.36
MPO P05164 2/20 0.35
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RHEB Q15382 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CREBBP Q92793 1/20 0.34
MARS1 P56192 1/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.33
GPBAR1 Q8TDU6 3/20 0.32
CCR1 P32246 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL5227746 0.87 PTGDR2 (0.42) PTGDR2CRHR1LMNAALDH1A1RHEB
SCHEMBL509269 0.81 MAPT (0.36) PTGDR2CRHR1MPOLMNAATM
SCHEMBL5226171 0.78 FPR2 (0.41) PTGDR2CRHR1LMNAMARS1TSHR
SCHEMBL6626065 0.70 PDE4B (0.35) PTGDR2GPBAR1
SCHEMBL5224650 0.69 PGR (0.39) PTGDR2LMNAALDH1A1BRD4BRD2
SCHEMBL5225100 0.68 MAPK14 (0.37) PTGDR2LMNAATMALDH1A1TSHR
SCHEMBL5228227 0.68 PTGDR2 (0.40) PTGDR2LMNARHEBHTTKMT2A
SCHEMBL5229746 0.67 P2RX7 (0.37) PTGDR2CRHR1ATMMEN1KMT2A
SCHEMBL509302 0.67 PTGDR2 (0.38) PTGDR2CRHR1ALDH1A1BRD4BRD2
SCHEMBL5224661 0.66 P2RX7 (0.34) PTGDR2LMNA

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-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed