SCHEMBL9099807

SCHEMBL9099807

O=[C]c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.65
KMT2A Q03164 2/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A3 Q01959 1/20 0.65
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
LMNA P02545 4/20 0.55
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.49
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
JMJD6 Q6NYC1 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6330377 0.87 TDP1 (0.63) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL312910 0.85 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL11985700 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL692401 0.84 KMT2A (0.55) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL704543 0.83 KMT2A (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL40187 0.81 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL56565 0.81 RAB9A (0.82) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL181934 0.81 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3RAB9A
Benzyl Benzoate SCHEMBL8010992 0.80 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3RAB9A
Benzyl Benzoate SCHEMBL901058 0.80 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
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