SCHEMBL534007

SCHEMBL534007

CCc1nc2c(F)ccc(O)c2c(OC(F)F)c1Cc1ccc(NC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.50
FAAH O00519 1/20 0.33
DHFR P00374 2/20 0.32
MAPT P10636 3/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CCNB2 O95067 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL534006 0.91 PTGDR2 (0.50) PTGDR2FAAHDHFRMAPTMMP9
SCHEMBL533970 0.86 PTGDR2 (0.68) PTGDR2FAAHALDH1A1LMNASMN1; SMN2
SCHEMBL534884 0.86 PTGDR2 (0.59) PTGDR2FAAHDHFRMAPTALDH1A1
SCHEMBL534795 0.84 PTGDR2 (0.51) PTGDR2CCNE2CCNE1CDK2
SCHEMBL534081 0.82 PTGDR2 (0.49) PTGDR2
SCHEMBL534921 0.81 PTGDR2 (0.49) PTGDR2
SCHEMBL2572569 0.80 PTGDR2 (0.56) PTGDR2CCNB2CDK1CCNB1CCNB3
SCHEMBL3772517 0.76 PTGDR2 (0.66) PTGDR2DHFRMAPTALDH1A1SMN1; SMN2
SCHEMBL534119 0.76 PTGDR2 (0.55) PTGDR2DHFRP2RX3
SCHEMBL534118 0.76 PTGDR2 (0.55) PTGDR2DHFRP2RX3

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed