SCHEMBL3131970

SCHEMBL3131970

COc1ccc(CC(=O)O)cc1Oc1ccc([N+](=O)[O-])cc1CBr

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
CYP3A4 P08684 1/20 0.48
CA5A P35218 1/20 0.47
GAA P10253 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2355012 0.90 TTR (0.49) TTRCYP3A4ALDH1A1NPSR1LMNA
SCHEMBL347720 0.87 HTT (0.47) TTRALDH1A1NPSR1LMNAMEN1
SCHEMBL12515217 0.84 TTR (0.46) TTRCYP3A4ALDH1A1NPSR1LMNA
SCHEMBL2365219 0.80 TTR (0.56) TTRCYP3A4ALDH1A1NPSR1LMNA
SCHEMBL13521931 0.79 TTR (0.49) TTRCYP3A4ALDH1A1NPSR1LMNA
SCHEMBL29560265 0.79 TDP1 (0.58) CYP3A4ALDH1A1TDP1NPSR1LMNA
SCHEMBL922726 0.79 TDP1 (0.58) CYP3A4ALDH1A1TDP1NPSR1LMNA
SCHEMBL21328360 0.79 GAA (0.70) CYP3A4CA5AGAAALDH1A1TSHR
SCHEMBL4364148 0.78 HSD17B10 (0.60) GAAALDH1A1TDP1LMNAMEN1
SCHEMBL4847499 0.78 HSD17B10 (0.60) GAAALDH1A1TDP1LMNAMEN1

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-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed