SCHEMBL6003219

SCHEMBL6003219

CCCOc1ccccc1O[C]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NLRP1 Q9C000 1/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL195490 0.91 CYP1A2 (0.55) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL6003226 0.89 MAPT (0.51) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL6000936 0.87 LMNA (0.54) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL6933906 0.87 LMNA (0.54) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL165707 0.87 LMNA (0.54) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL2096019 0.84 L3MBTL1 (0.53) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
1,2-Dipropoxybenzene SCHEMBL29428926 0.83 CYP1A2 (0.56) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
1,2-Dipropoxybenzene SCHEMBL578657 0.83 CYP1A2 (0.56) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
1,2-Dipropoxybenzene SCHEMBL8910053 0.81 CYP1A2 (0.54) MAPTL3MBTL1NPSR1CYP1A2CYP2C19
SCHEMBL9098166 0.79 CA12 (0.42) MAPTL3MBTL1MEN1KMT2AKDM4E

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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