SCHEMBL6960308

SCHEMBL6960308

CC([C]=O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ATM Q13315 1/20 0.46
CTSS P25774 4/20 0.45
CTSB P07858 3/20 0.45
CTSL P07711 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CTSK P43235 2/20 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
SCHEMBL14046783 0.84 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10523992 0.84 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19866499 0.84 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28642241 0.83 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13750835 0.80 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL201855 0.79 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL29090140 0.79 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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
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-0051467-B1 HEXITOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1986-08-13 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
US-4419522-A ANTITUMOR AGENTS CHINOIN GYOGYSZER VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-12-06 US disclosed
EP-0051467-A1 Hexitol derivatives, their preparation and pharmaceutical compositions containing them CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1982-05-12 EP disclosed