SCHEMBL7209835

SCHEMBL7209835

CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2ccccc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CYP2B6 P20813 1/20 0.35
OPRM1 P35372 1/20 0.34
PTGS2 P35354 7/20 0.31
PTGS1 P23219 3/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MT-CO2 P00403 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MC4R P32245 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPT P10636 1/20 0.31
PDE4B Q07343 1/20 0.30
HSD11B1 P28845 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8659691 0.91 PTGS1 (0.42) KMT2APTGS2PTGS1
SCHEMBL8660051 0.90 CNR1 (0.35) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8663046 0.88 PTGS1 (0.34) KMT2APTGS2PTGS1HSD11B1
SCHEMBL8206162 0.88 PTGS2 (0.36) KMT2APTGS2PTGS1ALDH1A1MAPT
SCHEMBL117855 0.87 CNR1 (0.32) KMT2APTGS2PTGS1NR1H2NR1H3
SCHEMBL8205870 0.86 NR3C1 (0.32) KMT2A
SCHEMBL9246074 0.86 KMT2A (0.31) KMT2ACYP2B6
SCHEMBL9236955 0.84 KMT2A (0.37) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7209897 0.83 KMT2A (0.36) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8658834 0.83 KCNN4 (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5201811-A None JP disclosed
EP-0736019-B1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEM CORP (JP) 2003-05-28 EP disclosed
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
US-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed
US-6028032-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD. (GB) 2000-02-22 US disclosed
US-5977025-A CONTROLLING WEEDS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-11-02 US disclosed
EP-0866788-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-09-30 EP disclosed
EP-0833821-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-08 EP disclosed
WO-1997021688-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-06-19 WO disclosed
WO-1997000865-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-01-09 WO disclosed
US-5436224-A Plant growth regulators MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1995-07-25 US 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
JP-H05201811-A 2,3-DIHYDRO-4H-1,3-OXAZIN-4-ONE DERIVATIVE BASED HERBICIDE DAICEL CHEM IND LTD 1993-08-10 JP disclosed