SCHEMBL6281793

SCHEMBL6281793

CC1CC(NC(=O)Cc2ccccc2)c2ccccc2N1C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.51
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 4/20 0.43
HSD11B1 P28845 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5497575 0.82 PTGDR2 (0.74) PTGDR2GFERNPSR1MEN1KMT2A
SCHEMBL27641688 0.81 MAPT (0.55) PTGDR2GFERNPSR1GAAMAPK1
SCHEMBL6276664 0.78 PTGDR2 (0.53) PTGDR2GFERNPSR1CNR2GAA
SCHEMBL6274568 0.75 PTGDR2 (0.54) PTGDR2GFERNPSR1ALDH1A1TSHR
SCHEMBL15544298 0.73 CNR2 (0.52) NPSR1CNR2HSD11B1MEN1ALDH1A1
SCHEMBL4133008 0.72 PTGDR2 (0.68) PTGDR2MEN1KMT2ATSHRHTT
SCHEMBL5504734 0.71 PTGDR2 (0.58) PTGDR2NPSR1MEN1KMT2AHTT
SCHEMBL5444441 0.71 PTGDR2 (0.52) PTGDR2GFERNPSR1MAPK1MEN1
SCHEMBL15544590 0.70 NOTUM (0.60) NPSR1CNR2HSD11B1MEN1ALDH1A1
SCHEMBL5513344 0.70 PTGDR2 (0.56) PTGDR2NPSR1MEN1KMT2AHTT

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
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP claimed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed