SCHEMBL7412064

SCHEMBL7412064

Cc1nc(=O)n(CCC(=O)O)c2cc(O)c(O)cc12.NCC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.35
SRC P12931 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMO O15229 2/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MAT2A P31153 1/20 0.32
P2RX3 P56373 5/20 0.32

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
Ethylamine SCHEMBL7408665 0.88 SRC (0.43) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
SCHEMBL7412394 0.88 SRC (0.43) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
Bromide SCHEMBL10733467 0.86 SRC (0.42) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
Water SCHEMBL7408556 0.86 SRC (0.42) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
SCHEMBL7407905 0.83 KMO (0.39) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
SCHEMBL10968820 0.79 FABP4 (0.43) KDM4EPOLBL3MBTL1DYRK1ASRC
Potassium Ion SCHEMBL7409882 0.76 SRC (0.38) KDM4EPOLBHSD17B10L3MBTL1SRC
SCHEMBL7405683 0.76 KMO (0.45) KDM4EPOLBHSD17B10L3MBTL1DYRK1A
SCHEMBL7412024 0.76 WEE1 (0.50) KDM4EPOLBHSD17B10L3MBTL1SRC
Potassium Ion SCHEMBL7415696 0.76 SRC (0.38) KDM4EPOLBHSD17B10L3MBTL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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