SCHEMBL8319969

SCHEMBL8319969

O=C(NCCO)c1ccc(CCc2cc(Br)ccc2OCc2ccccc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.53
USP25 Q9UHP3 1/20 0.53
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.47
CCR5 P51681 2/20 0.43
LMNA P02545 2/20 0.43
MTNR1B P49286 1/20 0.42
STAT3 P40763 1/20 0.42
BRD4 O60885 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER1 P34995 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
RAB9A P51151 1/20 0.41
LRRK2 Q5S007 3/20 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
SCHEMBL9057884 0.88 CCR5 (0.42) USP28USP25HTTALDH1A1CCR5
SCHEMBL8324470 0.86 PTGER1 (0.48) USP28USP25HTTALDH1A1CCR5
SCHEMBL8321520 0.81 CCR5 (0.46) USP28USP25HTTALDH1A1CCR5
SCHEMBL8676639 0.78 USP28 (0.52) USP28USP25HTTALDH1A1CCR5
SCHEMBL8326795 0.74 HTR1A (0.54) HTTALDH1A1PTGER1
SCHEMBL16294248 0.73 USP28 (0.69) USP28USP25HTTALDH1A1CCR5
SCHEMBL8324638 0.72 MRGPRX4 (0.44) PTGER1
SCHEMBL8680267 0.72 LRRK2 (0.49) USP28USP25HTTALDH1A1CCR5
SCHEMBL8321690 0.72 CCR5 (0.40) USP28USP25HTTALDH1A1CCR5
SCHEMBL27405520 0.71 USP28 (0.53) USP28USP25HTTALDH1A1CCR5

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed