SCHEMBL7334158

SCHEMBL7334158

CC(C)CCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
LSS P48449 1/20 0.41

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
SCHEMBL17286565 0.94 TDP1 (0.53) RARBTDP1DRD4DRD2DRD3
SCHEMBL4826829 0.89 RARB (0.50) RARBTDP1DRD4DRD2DRD3
SCHEMBL941201 0.85 TDP1 (0.66) TDP1DRD4DRD2DRD3KDM4E
SCHEMBL9227885 0.85 KDM4E (0.47) RARBTDP1DRD4DRD2DRD3
SCHEMBL9227890 0.85 KDM4E (0.47) RARBTDP1DRD4DRD2DRD3
SCHEMBL13251245 0.84 RARB (0.62) RARBTDP1MAPK1MAPTHRH1
SCHEMBL6852447 0.83 TDP1 (0.50) RARBTDP1DRD4DRD2DRD3
SCHEMBL21157749 0.82 RARB (0.60) RARBTDP1DRD4DRD2DRD3
SCHEMBL7330936 0.81 CYP2D6 (0.63) RARBDRD4DRD2DRD3KDM4E
SCHEMBL27876589 0.79 MAPT (0.50) TDP1KDM4EALDH1A1MAPK1MAPT

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 4 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
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed