SCHEMBL9101286

SCHEMBL9101286

CCCOc1ccc(N[C]=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLK1 P53350 1/20 0.49
FAAH O00519 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL7533701 0.93 NPC1 (0.54) RAB9ATSHRKDM4EFAAHCA12
SCHEMBL2089557 0.89 NPC1 (0.59) RAB9ATSHRFAAHGAANPC1
SCHEMBL7525722 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL5948125 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL8957600 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL2200281 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL8006745 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL10563388 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL2089955 0.88 NPC1 (0.58) RAB9ATSHRFAAHNPC1
SCHEMBL5637694 0.85 NQO1 (0.56) MAPTALDH1A1TSHRKDM4EGAA

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 13 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-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US 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-5001261-A Cyclohexenone derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1991-03-19 US 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
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