SCHEMBL27771713

SCHEMBL27771713

CC(C)(C)OC(=O)c1c[nH]c2cccc(CCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.48
▸ SLC6A2 P23975 7/20 0.37
▸ HTR2A P28223 7/20 0.37
▸ CAMK2D Q13557 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ NR4A2 P43354 1/20 0.32
▸ HAT1 O14929 1/20 0.32
▸ EP300 Q09472 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
SCHEMBL27771799 0.90 PTGDR2 (0.39) PTGDR2NR4A2HAT1EP300
SCHEMBL27771803 0.75 NR4A2 (0.43) SLC6A2HTR2AHTR2CNR4A2
SCHEMBL3164947 0.75 HTR1A (0.53) PTGDR2HTR2A
SCHEMBL3175225 0.74 PTGDR2 (0.49) PTGDR2HTR2A
SCHEMBL1759590 0.71 NR4A2 (0.47) NR4A2
SCHEMBL3176752 0.70 PTGDR2 (0.70) PTGDR2
SCHEMBL27771709 0.70 NR4A2 (0.49) NR4A2
SCHEMBL3176262 0.69 PTGDR2 (0.67) PTGDR2
SCHEMBL12678746 0.68 PTGDR2 (0.66) PTGDR2
SCHEMBL23126476 0.67 PTGDR2 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 — — CN disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN disclosed
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