SCHEMBL7209411

SCHEMBL7209411

COC(=O)C(C)Oc1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
ALDH2 P05091 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KLK7 P49862 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 4/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL11333711 0.84 LMNA (0.55) MEN1KMT2AMAPTALDH2L3MBTL1
SCHEMBL6293324 0.82 CYP1A2 (0.40) ALDH1A1POLBHPGDCYP1A2GAA
SCHEMBL4250581 0.80 KMT2A (0.58) MEN1KMT2AMAPTALDH2L3MBTL1
SCHEMBL5114871 0.80 KMT2A (0.48) MEN1KMT2AMAPTALDH2L3MBTL1
SCHEMBL839599 0.79 CYP1A2 (0.55) MEN1KMT2AMAPTL3MBTL1KLK7
SCHEMBL5499207 0.79 KMT2A (0.46) MEN1KMT2AMAPTL3MBTL1KLK7
SCHEMBL27714674 0.78 CYP1A2 (0.53) MEN1KMT2AMAPTL3MBTL1KLK7
SCHEMBL6972597 0.76 HSD17B10 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5954125 0.75 LMNA (0.34) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11402555 0.75 TAS1R3 (0.65) MEN1KMT2AMAPTALDH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5977025-A CONTROLLING WEEDS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-11-02 US disclosed
EP-0736019-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-09 EP disclosed
WO-1995018113-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-06 WO disclosed