SCHEMBL9100477

SCHEMBL9100477

O=[C]c1ccc(C(=O)OCCCCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PLA2G4B P0C869 1/20 0.50
LMNA P02545 2/20 0.48
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9100162 0.94 ESR1 (0.57) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL28714878 0.90 TDP1 (0.70) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL9100113 0.88 ESR1 (0.69) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL16673090 0.87 TDP1 (0.76) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL6232820 0.87 TDP1 (0.76) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL9742921 0.85 TDP1 (0.64) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL27885665 0.85 TDP1 (0.64) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL28714880 0.85 TDP1 (0.64) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL3821882 0.85 TDP1 (0.79) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL9100488 0.81 TDP1 (0.57) TDP1ESR1ESR2NPC1RAB9A

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 11 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-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