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SCHEMBL2173775

SCHEMBL2173775

CCN(CC)S(=O)(=O)c1ccc(Oc2c(C)c(C(CC(=O)O)(C(=O)O)c3cc4ccc(F)cc4c(Oc4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)c3C)cc3ccc(F)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.44
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2171907 0.94 PTGDR2 (0.47) PTGDR2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2173771 0.86 PTGDR2 (0.59) PTGDR2
SCHEMBL2171905 0.80 PTGDR2 (0.64) PTGDR2MEN1KMT2AL3MBTL1
SCHEMBL2172748 0.78 PTGDR2 (0.63) PTGDR2
SCHEMBL2172522 0.74 PTGDR2 (0.72) PTGDR2
SCHEMBL2172269 0.71 PTGDR2 (0.73) PTGDR2
SCHEMBL2174482 0.70 PTGDR2 (0.38) PTGDR2
SCHEMBL2172059 0.69 PTGDR2 (0.62) PTGDR2KMT2A
SCHEMBL2173963 0.69 PTGDR2 (0.61) PTGDR2
SCHEMBL14837773 0.67 PTGDR2 (0.63) PTGDR2

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-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP disclosed