SCHEMBL27685294

SCHEMBL27685294

CCOC(=O)C(Oc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
AURKA O14965 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 2/20 0.44
AR P10275 2/20 0.43
MAPT P10636 5/20 0.43
HPGDS O60760 1/20 0.42
ALKBH2 Q6NS38 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PPARG P37231 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28761478 0.89 RAB9A (0.51) PTGDR2RAB9ANPC1MAPTHPGDS
SCHEMBL28765396 0.86 RAB9A (0.49) PTGDR2RAB9ANPC1MAPTHPGDS
SCHEMBL27665937 0.86 PTGDR2 (0.52) PTGDR2RAB9ANPC1MAPTHPGDS
SCHEMBL6157002 0.77 MAPT (0.62) PTGDR2RAB9ANPC1ARMAPT
SCHEMBL15516165 0.76 MAPT (0.59) RAB9ANPC1MAPTCRHBPCRHR2
SCHEMBL8949976 0.74 MAPT (0.54) RAB9ANPC1MAPTCRHBPCRHR2
SCHEMBL27684819 0.73 HPGDS (0.51) PTGDR2RAB9ANPC1MAPTHPGDS
SCHEMBL9306479 0.73 KMT2A (0.54) RAB9ANPC1MAPTCRHBPCRHR2
SCHEMBL27665788 0.73 HPGDS (0.51) PTGDR2RAB9ANPC1MAPTHPGDS
SCHEMBL27685236 0.73 LDHA (0.51) PTGDR2AURKARAB9ANPC1MAPT

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-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 CN disclosed