SCHEMBL27792893

SCHEMBL27792893

C[CH]Cn1cc(C(c2ccccc2)c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.45
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ TK1 P04183 1/20 0.31

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
SCHEMBL16493911 0.79 PTGDR2 (0.52) PTGDR2MAPTKDM4EALDH1A1POLB
SCHEMBL17949550 0.77 PTGDR2 (0.55) PTGDR2KDM4EALDH1A1POLBEPHX2
SCHEMBL3174285 0.76 PTGDR2 (0.52) PTGDR2MAPTKDM4EHDAC1HDAC8
SCHEMBL3165853 0.76 PTGDR2 (0.55) PTGDR2MAPTKDM4EHDAC1HDAC8
SCHEMBL3165962 0.76 PTGDR2 (0.52) PTGDR2KDM4EHDAC1HDAC8HDAC6
SCHEMBL27771722 0.76 PTGDR2 (0.55) PTGDR2MAPTKDM4EHDAC1HDAC8
Hydrochloric Acid SCHEMBL3159525 0.75 PTGDR2 (0.51) PTGDR2KDM4EHDAC1HDAC8HDAC6
SCHEMBL3175120 0.74 PTGDR2 (0.55) PTGDR2KDM4EHDAC1HDAC8HDAC6
SCHEMBL23126476 0.74 PTGDR2 (0.51) PTGDR2MAPTKDM4EBRD4EPHX2
SCHEMBL17949523 0.73 CREBBP (0.47) PTGDR2MAPTHDAC1HDAC8HDAC6

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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