SCHEMBL7340690

SCHEMBL7340690

CCCCCOc1ccc(-c2ccc(CCC(=O)OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.56
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
S1PR4 O95977 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
P2RY10 O00398 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PLA2G4B P0C869 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
PLA2G4A P47712 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL22439030 0.94 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL25172916 0.94 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL6539026 0.94 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL17349905 0.94 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL10334162 0.94 LMNA (0.57) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL7528179 0.93 LMNA (0.62) LMNAL3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL1667448 0.87 PLA2G4A (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL25456590 0.87 PLA2G4A (0.56) LMNAL3MBTL1S1PR4S1PR1S1PR3
SCHEMBL7330984 0.87 RARB (0.59) RARBS1PR1S1PR3
SCHEMBL5498756 0.86 P2RY10 (0.57) RARBLMNAL3MBTL1S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed