SCHEMBL8103972

SCHEMBL8103972

COC(=O)Nc1ccc(C)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 1/20 0.56
NLRP3 Q96P20 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL17666341 0.83 HPGD (0.53) HPGDMEN1KMT2APKMMAPT
SCHEMBL1952694 0.82 NLRP3 (0.62) HPGDMAPTNLRP3HTTALDH1A1
SCHEMBL13587071 0.82 CA12 (0.42) HPGDMEN1KMT2APKMMAPT
SCHEMBL15093720 0.81 GAA (0.49) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2023795 0.81 TDP1 (0.42) HPGDMEN1KMT2AMAPTHTT
SCHEMBL7785858 0.79 HPGD (0.57) HPGDMEN1KMT2APKMMAPT
SCHEMBL29581696 0.78 POLB (0.46) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1954787 0.78 POLB (0.46) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15233267 0.77 HPGD (0.55) HPGDMEN1KMT2APKMMAPT
SCHEMBL2092869 0.76 HPGD (0.75) HPGDMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1167339-C Microcapsule formulations 2004-09-22 CN disclosed
CN-1148119-C Microcapsule formulation 2004-05-05 CN disclosed
CN-1315829-A Microcapsule formulations BAYER AG (DE) 2001-10-03 CN disclosed
CN-1315828-A Microcapsule formulations BAYER AG (DE) 2001-10-03 CN disclosed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed
US-4035173-A CONIFERS, PINACEAE UREA, AMMONIA, AMMONIUM SULFATES, NITRATES OF AMMONIA, CALCIUM AND POTASSIUM UNION OIL COMPANY OF CALIFORNIA (US) 1977-07-12 US disclosed