SCHEMBL9099862

SCHEMBL9099862

CCOCn1ccc(O)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HSD17B3 P37058 3/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
DUT P33316 1/20 0.33
MAPK14 Q16539 2/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TNF P01375 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL13677546 0.80 POLB (0.46) POLBHSD17B3HSD17B13MAPK14DRD2
SCHEMBL8229121 0.77 TYR (0.43) POLBHSD17B3HSD17B13DRD2DRD3
SCHEMBL1033958 0.74 TYR (0.46) POLBHSD17B13DRD2DRD3TNF
SCHEMBL5005631 0.72 ACACB (0.44) HSD17B3HSD17B13DRD2DRD3ALDH1A1
SCHEMBL30910238 0.72 GPR84 (0.47) MAPTDRD2DRD3ALDH1A1GAA
SCHEMBL9098292 0.70 BAZ2B (0.37) ALDH1A1
SCHEMBL1038378 0.69 GRM2 (0.41) POLBALDH1A1
SCHEMBL7711032 0.68 PKM (0.58) DUT
SCHEMBL7644358 0.68 HDAC6 (0.54) MAPTDRD2DRD3ALDH1A1
SCHEMBL7633943 0.67 PKM (0.31)

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
JP-56046867-A None JP disclosed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
JP-S5646867-A PYRIDONE DERIVATIVE, ITS PREPARATION AND ANTINEOPLASMIC AGENT ONO PHARMACEUT CO LTD 1981-04-28 JP disclosed