SCHEMBL7405656

SCHEMBL7405656

O=C(O)CCn1c(=O)ncc2c(O)c(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.45
FABP5 Q01469 3/20 0.45
FABP3 P05413 1/20 0.45
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
WEE1 P30291 2/20 0.39
APEX1 P27695 1/20 0.38
LCK P06239 1/20 0.38
HTT P42858 1/20 0.37
CTNNB1 P35222 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
CHEK1 O14757 1/20 0.35
SRC P12931 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10988698 0.80 MAPT (0.43) FABP4FABP5FABP3KDM4EPOLB
SCHEMBL7415741 0.75 WEE1 (0.44) FABP4FABP5FABP3KDM4EPOLB
SCHEMBL10621833 0.72 KMO (0.57) FABP4FABP5FABP3KDM4EPOLB
SCHEMBL7414012 0.72 KMO (0.43) FABP4FABP5FABP3KDM4EPOLB
Iodide SCHEMBL7407059 0.72 KDM4E (0.40) FABP4FABP5FABP3KDM4EPOLB
Iodide SCHEMBL10619045 0.71 KMO (0.56) FABP4FABP5FABP3KDM4EPOLB
Iodide SCHEMBL7417715 0.70 KMO (0.39) FABP4FABP5FABP3KDM4EPOLB
Iodide SCHEMBL7409525 0.69 CASR (0.37) FABP4FABP5FABP3KDM4EPOLB
SCHEMBL10747226 0.69 TBXAS1 (0.42) FABP4FABP5FABP3KDM4EPOLB
SCHEMBL10968401 0.68 DYRK1A (0.41) FABP4FABP5FABP3KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP claimed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US claimed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP claimed