SCHEMBL9273997

SCHEMBL9273997

CCC(=O)OCCCCCCOC=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 2/20 0.41
HTR2C P28335 1/20 0.40
DGKA P23743 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.37
DNM1 Q05193 1/20 0.37
ATM Q13315 1/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL9572951 0.98 NAAA (0.61) NAAAHTTRAD52NPSR1FAAH
SCHEMBL9572578 0.94 NAAA (0.55) NAAAHTTRAD52NPSR1FAAH
SCHEMBL3122883 0.85 NAAA (0.48) NAAAHTTDGKATSHRALDH1A1
SCHEMBL14472850 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL12956536 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL3993048 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL50185 0.82 NAAA (0.81) NAAAHTTRAD52NPSR1FAAH
SCHEMBL16351434 0.82 DGKA (0.67) NAAARAD52NPSR1FAAHHTR2C
SCHEMBL7042627 0.82 DGKA (0.61) NAAARAD52NPSR1FAAHHTR2C
SCHEMBL9276669 0.82 DGKA (0.67) NAAARAD52NPSR1FAAHHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 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