SCHEMBL8952018

SCHEMBL8952018

O=C1CCCCC(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
CES2 O00748 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HPD P32754 1/20 0.42
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC18A3 Q16572 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL6455373 0.84 MEN1 (0.46) MAPTHTTMGLLALDH1A1TDP1
SCHEMBL38656 0.81 ALDH1A1 (0.43) POLBMGLLALDH1A1GAATDP1
SCHEMBL7684693 0.80 POLB (0.48) POLBCES2LMNAALDH1A1TDP1
SCHEMBL8356212 0.80 GPR35 (0.39) MAPTMGLLALDH1A1CYP3A4CYP2C19
SCHEMBL9068475 0.79 MEN1 (0.43) MAPTPOLBCES2LMNASMN1; SMN2
SCHEMBL8436391 0.77 CES1 (0.44) CES2MGLLALDH1A1GAATDP1
SCHEMBL9068184 0.75 MEN1 (0.52) MAPTPOLBLMNASMN1; SMN2HTT
SCHEMBL8068727 0.73 MGLL (0.41) MAPTPOLBLMNASMN1; SMN2HTT
SCHEMBL31032494 0.73 MCL1 (0.42) MAPTSMN1; SMN2GAAHPGD
SCHEMBL11594493 0.73 MCL1 (0.35) SMN1; SMN2GAAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736086-A1 PROCESS FOR MAKING PARTICLES CONTAINING LIQUID BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
US-5534195-A Process for making particles comprising lactam bleach activators THE PROCTER & GAMBLE CO. (US) 1996-07-09 US disclosed
WO-1995017497-A1 PROCESS FOR MAKING PARTICLES CONTAINING LIQUID BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1995-06-29 WO disclosed