SCHEMBL9099031

SCHEMBL9099031

O=[C]c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOA P21397 5/20 0.49
MAOB P27338 5/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
GAA P10253 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
LTA4H P09960 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 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
SCHEMBL7283913 0.89 FFAR1 (0.51) FFAR1MAOAMAOBDRD2DRD4
SCHEMBL7282554 0.86 TDP1 (0.51) FFAR1RAB9A
SCHEMBL6957748 0.84 NPC1 (0.51) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL15690119 0.84 NPC1 (0.51) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL6209659 0.83 MAOB (0.57) FFAR1MAOAMAOB
SCHEMBL8995355 0.83 NPC1 (0.62) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL17912866 0.82 NPC1 (0.60) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL7285094 0.81 FFAR1 (0.53) FFAR1
SCHEMBL1070131 0.80 NPC1 (0.73) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL5541860 0.79 FFAR1 (0.52) FFAR1NPC1RAB9AMAOAMAOB

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