SCHEMBL14015201

SCHEMBL14015201

CC(C)(C)c1cc2c(N)c(Oc3ccc(CC(=O)O)cc3F)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.49
PTGDR Q13258 7/20 0.49
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.39
PPARG P37231 2/20 0.37
NR3C1 P04150 1/20 0.36
GAA P10253 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL12570786 0.90 PTGDR (0.44) PTGDR2PTGDRALDH1A1MAPTHPGD
SCHEMBL12570787 0.84 PTGDR2 (0.46) PTGDR2PTGDRKDM4EMEN1ALDH1A1
SCHEMBL2004148 0.77 PTGDR2 (0.82) PTGDR2PTGDRCYP3A4
SCHEMBL12570797 0.75 CYP3A4 (0.60) PTGDR2PTGDRKDM4EMEN1ALDH1A1
SCHEMBL2000414 0.71 PTGDR (0.46) PTGDR2PTGDRKDM4EMEN1ALDH1A1
SCHEMBL2005251 0.70 PTGDR (0.55) PTGDR2PTGDRKDM4EMEN1ALDH1A1
SCHEMBL12570789 0.69 PTGDR2 (0.74) PTGDR2PTGDRCYP3A4PPARG
SCHEMBL13742647 0.68 SRD5A2 (0.52) PTGDR2KDM4EALDH1A1MAPTHPGD
SCHEMBL1036212 0.67 GAA (0.68) KDM4EALDH1A1HSD17B10GAA
SCHEMBL2002117 0.66 CYP3A4 (0.52) PTGDR2PTGDRKDM4EMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed