SCHEMBL9313565

SCHEMBL9313565

CCOP(=O)(O)CCN(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
CETP P11597 3/20 0.43
NR1I2 O75469 1/20 0.43
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.39
FDPS P14324 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
AOX1 Q06278 1/20 0.38
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9313590 0.84 NR1I2 (0.45) PPARDCETPNR1I2POLBNPSR1
SCHEMBL9313854 0.80 MEN1 (0.47) MEN1KMT2AHTTFDPSALDH1A1
Hydrochloric Acid SCHEMBL9314522 0.78 MEN1 (0.45) MEN1KMT2AHTTFDPSALDH1A1
SCHEMBL21533786 0.76 HTT (0.42) MEN1KMT2AHTTFDPS
SCHEMBL6030230 0.73 PPARD (0.76) PPARDCETPNR1I2POLBNPSR1
SCHEMBL29176889 0.73 NR1I2 (0.50) NR1I2POLBNPSR1MEN1KMT2A
SCHEMBL915800 0.71 TSHR (0.52) PPARDCETPNR1I2POLBNPSR1
SCHEMBL9313860 0.70 HTT (0.44) CETPNR1I2POLBMEN1KMT2A
SCHEMBL9313676 0.70 MEN1 (0.44) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL5353658 0.70 PKM (0.51) CETPFDPSLMNA

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
US-5315035-A Hydrogen peroxide detection BOEHRINGER MANNHEIM GMBH (DE) 1994-05-24 US disclosed
US-5084382-A A color former with an oxidizable coupler for detection of hydrogen peroxide or hydrogen peroxide forming system or peroxidase or oxidizers for amine detection BOEHRINGER MANNHEIM GMBH (DE) 1992-01-28 US disclosed
US-4820632-A ANILINE DERIVATIVE AND OXIDIZABLE COUPLER COLORED COMPOUND FOR DETECTION OF HYDROGEN PEROXIDE; MEDICAL DIAGNOSIS BOEHRINGER MANNHEIM GMBH (DE) 1989-04-11 US disclosed