SCHEMBL7339907

SCHEMBL7339907

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
RAB9A P51151 2/20 0.60
RARB P10826 4/20 0.56
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL7331945 1.00 MAPT (0.68) MAPTRAB9ARARBGAAL3MBTL1
SCHEMBL7340035 1.00 MAPT (0.68) MAPTRAB9ARARBGAAL3MBTL1
SCHEMBL7325364 0.98 MAPT (0.70) MAPTRAB9ARARBGAAL3MBTL1
SCHEMBL7319395 0.95 MAPT (0.70) MAPTRAB9ARARBL3MBTL1TDP1
SCHEMBL24684534 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL6132800 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL30325377 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7317310 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL6552013 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL6132809 0.95 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1

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