SCHEMBL3972653

SCHEMBL3972653

CCOC(=O)Cc1c(C)c(Cc2ccc(S(=O)(=O)c3ccc(F)cc3)c(F)c2)n2cc(C#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
RXFP1 Q9HBX9 2/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.33
USP14 P54578 1/20 0.33
GNRHR P30968 1/20 0.32
TP53 P04637 2/20 0.32
TBXAS1 P24557 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
SCHEMBL3962109 0.91 PTGDR2 (0.39) PTGDR2GAAMEN1KMT2AMAPT
SCHEMBL3968079 0.90 PTGDR2 (0.49) PTGDR2RXFP1TBXAS1
SCHEMBL3968252 0.88 PTGDR2 (0.38) PTGDR2GAAMEN1KMT2AMAPT
SCHEMBL3969463 0.86 PTGDR2 (0.47) PTGDR2MEN1KMT2AMAPTPTGS2
SCHEMBL3967751 0.84 PTGDR2 (0.39) PTGDR2RXFP1GAAMEN1KMT2A
SCHEMBL3962084 0.83 PTGDR2 (0.39) PTGDR2GAAMEN1KMT2AALDH1A1
SCHEMBL3580577 0.82 ALDH1A1 (0.35) PTGDR2MAPTALDH1A1USP14
SCHEMBL3968018 0.82 PTGDR2 (0.39) PTGDR2GAAMEN1KMT2AMAPT
SCHEMBL3964681 0.81 PTGDR2 (0.46) PTGDR2TBXAS1
SCHEMBL3962099 0.80 PTGDR2 (0.40) PTGDR2GAAMAPTPTGS2

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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed