SCHEMBL9850822

SCHEMBL9850822

O=C(O)CCCn1c(=O)ccc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.50
FABP5 Q01469 3/20 0.50
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TBXAS1 P24557 2/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
CTNNB1 P35222 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
FABP3 P05413 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3777821 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13952491 0.78 POLB (0.44) KDM4EALDH1A1HPGDPOLBL3MBTL1
SCHEMBL9850735 0.78 CNR2 (0.50) FABP4FABP5KDM4EPOLBHTT
SCHEMBL11296052 0.77 FABP4 (0.59) FABP4FABP5KDM4EALDH1A1L3MBTL1
SCHEMBL18727718 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL11985534 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL13767381 0.74 ALDH1A1 (0.44) KDM4EALDH1A1HPGDPOLBL3MBTL1
SCHEMBL22965217 0.73 KMO (0.51) FABP4FABP5KDM4EPOLBL3MBTL1
SCHEMBL17580969 0.72 KDM4E (0.73) FABP4FABP5KDM4EALDH1A1HPGD
SCHEMBL3778294 0.72 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed