SCHEMBL9448646

SCHEMBL9448646

CC1CC/C(=C/c2ccccc2O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.49
NAT1 P18440 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TRIM24 O15164 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
SCHEMBL8882507 0.81 DYRK2 (0.51) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL8882503 0.81 DYRK2 (0.51) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL9048357 0.77 MAPT (0.61) MIFMAPTALDH1A1HPGDKDM4E
SCHEMBL9047403 0.77 MAPT (0.61) MIFMAPTALDH1A1HPGDKDM4E
SCHEMBL9543178 0.74 MAPT (0.53) MIFNAT1L3MBTL1MAPTALDH1A1
SCHEMBL14571667 0.72 DYRK1A (0.51) MIFNAT1MAPTALDH1A1KDM4E
SCHEMBL5584115 0.72 DYRK1A (0.51) MIFNAT1MAPTALDH1A1KDM4E
SCHEMBL3581744 0.71 MIF (0.64) MIFMAPTALDH1A1KDM4ERAB9A
SCHEMBL3581740 0.71 MIF (0.64) MIFMAPTALDH1A1KDM4ERAB9A
SCHEMBL17691388 0.71 MIF (0.64) MIFMAPTALDH1A1KDM4ERAB9A

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-0528975-A4 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES 1993-09-15 EP claimed
EP-0528975-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1993-03-03 EP claimed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO claimed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO claimed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO disclosed