SCHEMBL9099042

SCHEMBL9099042

O=Cc1cccc(O)c1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ERN1 O75460 1/20 0.48
ALOX5 P09917 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41

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
SCHEMBL7397839 0.90 TRIM24 (0.48) TRIM24TRIM33ERN1ALOX5CA1
SCHEMBL661819 0.81 KDM4E (0.50) KDM4ETDP1ALDH1A1HPGDALOX15
SCHEMBL7197332 0.80 FOLH1 (0.41) HDAC1ALDH1A1MAPTALOX15KMT2A
SCHEMBL3432505 0.79 ERN1 (0.48) TRIM24TRIM33ERN1CA1CA2
SCHEMBL6893190 0.79 ERN1 (0.52) TRIM24TRIM33ERN1CA1CA2
SCHEMBL5429058 0.77 ERN1 (0.59) TRIM24TRIM33ERN1CA1CA2
Methane SCHEMBL7763342 0.77 L3MBTL1 (0.45) TRIM24TRIM33ERN1ALOX5TDP1
SCHEMBL983765 0.76 ERN1 (0.48) TRIM24TRIM33ERN1CA1CA2
SCHEMBL8406799 0.76 ERN1 (0.48) TRIM24TRIM33ERN1ALOX5KDM4E
Salicyladehyde SCHEMBL10845036 0.76 TRIM24 (0.62) TRIM24TRIM33CA1CA2GAA

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-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 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
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 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-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