SCHEMBL4645847

SCHEMBL4645847

CCCCCOc1cc(Br)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
AR P10275 1/20 0.39
EGFR P00533 1/20 0.39
SMPD1 P17405 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL12953379 0.98 PTGDR2 (0.46) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL2771758 0.95 PTGDR2 (0.48) PTGDR2HPGDSMN1; SMN2NPSR1HTT
SCHEMBL3224950 0.90 HPGD (0.55) PTGDR2HPGDSMN1; SMN2HTTALDH1A1
SCHEMBL28657454 0.89 CYSLTR2 (0.40) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL7082046 0.88 PTGDR2 (0.57) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL13581076 0.88 PTGDR2 (0.57) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL10482310 0.88 PTGDR2 (0.57) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL4151896 0.88 PTGDR2 (0.57) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL4134477 0.88 PTGDR2 (0.57) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2
SCHEMBL12293415 0.84 PTGDR2 (0.60) PTGDR2HPGDSMN1; SMN2NPSR1CYSLTR2

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-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed