SCHEMBL9100162

SCHEMBL9100162

O=[C]c1ccc(C(=O)OCCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 3/20 0.54
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP12 P39900 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9100477 0.94 TDP1 (0.57) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL9100113 0.91 ESR1 (0.69) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL839075 0.86 TDP1 (0.75) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL1129620 0.83 ESR1 (0.82) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL28714878 0.83 TDP1 (0.70) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL704543 0.81 KMT2A (0.71) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL3821882 0.81 TDP1 (0.79) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL3827544 0.81 TDP1 (0.62) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL6232820 0.80 TDP1 (0.76) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL5343587 0.80 TDP1 (0.50) ESR1NPC1RAB9ATDP1LMNA

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