SCHEMBL4630435

SCHEMBL4630435

C=[C]C(=O)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 5/20 0.52
EPHX1 P07099 1/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
ALDH1A1 P00352 2/20 0.46
HCAR2 Q8TDS4 2/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL5322592 0.93
SCHEMBL8561684 0.84
SCHEMBL2531258 0.82 NAAA (0.56) NAAATSHREPHX1CA12CA1
SCHEMBL2945479 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2529455 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2940576 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2530487 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2946409 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2530636 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1
SCHEMBL2529555 0.80 NAAA (0.59) NAAATSHREPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-4762839-A Quinazolinone copmpounds useful for the prophyloxis and treatment of diabetic complications TANABE SEIYAKU CO., LTD. (JP) 1988-08-09 US disclosed
EP-0204534-A2 Quinazolinone compounds and processes for the preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1986-12-10 EP disclosed