SCHEMBL7320147

SCHEMBL7320147

CCCCCCCCCCn1cc(C(=O)NNC(=O)c2ccc(C(=O)OC)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 6/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
GRM2 Q14416 1/20 0.39
PLA2G4A P47712 1/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL7315645 0.87 L3MBTL1 (0.53) TLR8L3MBTL1MGLLMAPTALDH1A1
SCHEMBL7334034 0.85 TLR8 (0.55) TLR8L3MBTL1MGLLMAPTALDH1A1
SCHEMBL27645962 0.82 L3MBTL1 (0.55) TLR8L3MBTL1MGLLMAPTALDH1A1
SCHEMBL7318801 0.79 L3MBTL1 (0.53) TLR8L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL7326808 0.79 TLR8 (0.48) TLR8MGLLGAAMAPTALDH1A1
SCHEMBL7314668 0.79 TLR8 (0.48) TLR8L3MBTL1MGLLGAAMAPT
SCHEMBL24842016 0.77 L3MBTL1 (0.45) TLR8L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7338762 0.74 GAA (0.72) L3MBTL1MGLLGAAMAPTALDH1A1
SCHEMBL6538620 0.74 CYP4A11 (0.63) GAAMAPTALDH1A1KDM4EPOLB
SCHEMBL21942690 0.74 L3MBTL1 (0.55) TLR8L3MBTL1PLA2G4A

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed