SCHEMBL6584657

SCHEMBL6584657

COc1ccc(C(C)=O)cc1OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HIF1A Q16665 1/20 0.60
PDE4B Q07343 1/20 0.60
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL10761483 0.94 ALDH1A1 (0.60) ALDH1A1HIF1APDE4BTSHRMAPT
SCHEMBL9662252 0.92 ALDH1A1 (0.65) ALDH1A1HIF1APDE4BTSHRMAPT
SCHEMBL4275354 0.88 CA12 (0.67) PDE4BTSHRHTTCYP1A2CYP3A4
SCHEMBL4271224 0.88 MAPK1 (0.63) ALDH1A1HIF1APDE4BTSHRCYP1A2
SCHEMBL4279508 0.86 MAPT (0.60) PDE4BTSHRMAPTHTTKMT2A
SCHEMBL10761086 0.85 KMT2A (0.52) ALDH1A1TSHRPKMHTTKMT2A
SCHEMBL17037234 0.83 ALDH1A1 (0.58) ALDH1A1HIF1APDE4BTSHRMAPT
SCHEMBL1824358 0.82 MAPK1 (0.69) ALDH1A1PDE4BTSHRMAPTKMT2A
SCHEMBL8470242 0.82 KMT2A (0.56) ALDH1A1HIF1ATSHRKMT2AMEN1
SCHEMBL7221191 0.82 ALDH1A1 (0.58) ALDH1A1HIF1APDE4BTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
EP-0900212-B1 CHIRAL PHENYLDIHYDROFURANONES AS PDE-IV INHIBITORS SCHERING AG (DE) 2003-12-17 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
US-6011060-A TREATING A DISEASE MEDIATED BY ACTIVATION OF THE TUMOR NECROSIS FACTOR SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-04 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
US-4707481-A Pyridazinones, their preparation and use, and bronchospasmolytic medicaments containing pyridazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed
EP-0125636-B1 PYRIDAZINONES, THEIR PREPARATION AND USE, MEDICINES CONTAINING THESE PYRIDAZINONES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-04-01 EP disclosed
EP-0125636-A1 Pyridazinones, their preparation and use, medicines containing these pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-21 EP disclosed