SCHEMBL27771799

SCHEMBL27771799

CC(C)(C)OC(=O)c1c[nH]c2cccc(Cn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL27771713 0.90 PTGDR2 (0.48) PTGDR2NR4A2HAT1EP300
SCHEMBL1759590 0.73 NR4A2 (0.47) NR4A2MAPTKMT2A
SCHEMBL27771709 0.72 NR4A2 (0.49) NR4A2POLBALDH1A1MAPTKMT2A
SCHEMBL3175912 0.72 DAO (0.45) PTGDR2POLBMAPTKMT2A
SCHEMBL27771803 0.69 NR4A2 (0.43) NR4A2
SCHEMBL27909433 0.66 NR4A2 (0.46) NR4A2POLBALDH1A1MAPTKMT2A
SCHEMBL5592328 0.66 NR4A2 (0.49) NR4A2KMT2A
SCHEMBL28046327 0.66 NR4A2 (0.49) NR4A2
SCHEMBL3995062 0.66 NR4A2 (0.72) NR4A2
SCHEMBL9077031 0.65 KMT2A (0.52) POLBALDH1A1MAPTKMT2ANPSR1

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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