SCHEMBL8206162

SCHEMBL8206162

CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cccc(Cl)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
GAA P10253 3/20 0.34
GSK3B P49841 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 1/20 0.31
NAT1 P18440 1/20 0.31
KIF11 P52732 1/20 0.30
HSD11B1 P28845 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL117855 0.91 CNR1 (0.32) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL8660051 0.88 CNR1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7209835 0.88 KMT2A (0.36) PTGS2PTGS1KMT2AMAPTALDH1A1
SCHEMBL8663046 0.86 PTGS1 (0.34) PTGS2PTGS1KMT2AHSD11B1TP53
SCHEMBL8209045 0.84 HSD11B1 (0.33) PTGS2MAPTLMNAHSD11B1
Ether SCHEMBL18840038 0.84 NPSR1 (0.32) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL8205870 0.82 NR3C1 (0.32) KMT2A
SCHEMBL9174165 0.82 PTGS2 (0.40) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL8106933 0.81 HSP90AA1 (0.37) PTGS2PTGS1MAPTHSP90AA1HSP90AB1
SCHEMBL8660792 0.81 DRD1 (0.33) KMT2AGAAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605726-B1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP (JP) 2000-04-12 EP disclosed
EP-0657099-B1 Herbicidal composition RHONE POULENC AGROCHIMIE (FR) 1998-11-04 EP disclosed
US-5436224-A Plant growth regulators MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0657099-A1 Herbicidal composition RHONE-POULENC AGROCHIMIE (FR) 1995-06-14 EP disclosed
EP-0605726-A1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-07-13 EP disclosed