SCHEMBL9099774

SCHEMBL9099774

O=C(O)c1c[c]c(O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.43
P4HTM Q9NXG6 2/20 0.43
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 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
SCHEMBL14877448 0.78 ALDH1A1 (0.45) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL185448 0.69 ALDH1A1 (0.54) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL4886683 0.68 ALDH1A1 (0.58) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL578580 0.65 TSHR (0.52) ALDH1A1NAPRTKDM4EALOX15MAPT
SCHEMBL3705899 0.64 ALDH1A1 (0.54) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL6633467 0.64 CA12 (0.52) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL29524968 0.64 P4HA1 (0.64) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL185991 0.64 P4HA1 (0.64) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL185428 0.62 KDM4E (0.52) P4HA1P4HTMMIFALDH1A1HSD17B10
SCHEMBL6632782 0.62 CA12 (0.41) ALDH1A1HSD17B10NAPRTKDM4EHPGD

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
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US 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-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed