SCHEMBL9100528

SCHEMBL9100528

O=C(O)c1[c]cc(O)nc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
HCAR2 Q8TDS4 2/20 0.30
P4HA1 P13674 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL7612410 0.77 GABRP (0.44) ALDH1A1KDM4ENAPRT
SCHEMBL8418372 0.70 TSHR (0.35) ALDH1A1CYP1A2HPGDHSD17B10KDM4E
SCHEMBL9097415 0.65 KMT2A (0.40) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9099473 0.65
SCHEMBL6631285 0.64 CA1 (0.41) ALDH1A1CYP2C9HPGDCYP2C19HSD17B10
SCHEMBL2441945 0.64 CA2 (0.42) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6634767 0.62 CA1 (0.45) ALDH1A1CYP2C9HPGDCYP2C19HSD17B10
SCHEMBL2045277 0.62
SCHEMBL6630337 0.61 ALDH1A1 (0.43) ALDH1A1CYP2C9HPGDCYP2C19HSD17B10
SCHEMBL9099774 0.61 P4HA1 (0.43) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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