SCHEMBL2481296

SCHEMBL2481296

CC(C)(C)C(C(=O)O)N1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.66
AKR1B1 P15121 1/20 0.41

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
SCHEMBL2486611 0.94 PTGDR2 (0.59) PTGDR2
SCHEMBL2483121 0.88 PTGDR2 (0.65) PTGDR2
SCHEMBL2484341 0.80 PTGDR2 (1.00) PTGDR2AKR1B1
SCHEMBL2484253 0.79 PTGDR2 (0.72) PTGDR2
SCHEMBL11959130 0.78 PTGDR2 (0.76) PTGDR2AKR1B1
SCHEMBL954381 0.77 PTGDR2 (0.67) PTGDR2AKR1B1
SCHEMBL2685018 0.76 PTGDR2 (0.69) PTGDR2AKR1B1
SCHEMBL2483198 0.75 PTGDR2 (0.38) PTGDR2AKR1B1
SCHEMBL2485299 0.74 PTGDR2 (0.88) PTGDR2
SCHEMBL11959131 0.73 PTGDR2 (0.67) PTGDR2AKR1B1

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-1891075-B1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO SA (CH) 2011-10-19 EP disclosed