SCHEMBL7315645

SCHEMBL7315645

CCCCCCCCCCn1cc(C(=O)OC)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TLR8 Q9NR97 2/20 0.49
PLA2G4A P47712 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GRK6 P43250 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 3/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM2 Q14416 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL27645962 0.94 L3MBTL1 (0.55) L3MBTL1TLR8PLA2G4AKDM4EALDH1A1
SCHEMBL24842016 0.88 L3MBTL1 (0.45) L3MBTL1TLR8KDM4EALDH1A1HPGD
SCHEMBL7320147 0.87 TLR8 (0.50) L3MBTL1TLR8PLA2G4AKDM4EALDH1A1
SCHEMBL7334034 0.87 TLR8 (0.55) L3MBTL1TLR8ALDH1A1MGLLAGTR1
SCHEMBL23627026 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL7318801 0.82 L3MBTL1 (0.53) L3MBTL1TLR8PLA2G4AKDM4EALDH1A1
SCHEMBL21942690 0.82 L3MBTL1 (0.55) L3MBTL1TLR8PLA2G4AMAPK1
SCHEMBL10401732 0.81 L3MBTL1 (0.78) L3MBTL1PLA2G4AALDH1A1MAPTSMN1; SMN2
SCHEMBL24828550 0.80 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL22064000 0.80 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
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