SCHEMBL7333166

SCHEMBL7333166

COC(=O)c1ccc(-c2ccc(OCCCCCOc3ccccc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
RAB9A P51151 2/20 0.79
HDAC3 O15379 9/20 0.62
HDAC4 P56524 9/20 0.62
HDAC1 Q13547 9/20 0.62
HDAC7 Q8WUI4 9/20 0.62
HDAC2 Q92769 9/20 0.62
HDAC10 Q969S8 9/20 0.62
HDAC11 Q96DB2 9/20 0.62
HDAC8 Q9BY41 9/20 0.62
HDAC6 Q9UBN7 9/20 0.62
HDAC9 Q9UKV0 9/20 0.62
HDAC5 Q9UQL6 9/20 0.62
KDM4E B2RXH2 1/20 0.60
RARB P10826 3/20 0.60
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PKM P14618 1/20 0.54

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
SCHEMBL7317665 0.95 MAPT (0.82) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL24844734 0.94 MAPT (0.90) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7316966 0.92 MAPT (0.71) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL6539224 0.91 MAPT (0.90) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL14926518 0.89 MAPT (0.70) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL5284759 0.89 MAPT (1.00) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5054312 0.89 MAPT (0.85) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7324996 0.89 MAPT (0.71) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL9164200 0.88 RARB (0.73) MAPTRAB9ARARBNPC1SMN1; SMN2
SCHEMBL5352926 0.88 RARB (0.73) MAPTRAB9ARARBNPC1SMN1; SMN2

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
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
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