SCHEMBL7337356

SCHEMBL7337356

CCCCCCOc1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
PLA2G2A P14555 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NR5A1 Q13285 1/20 0.49
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 2/20 0.48
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
PLA2G4B P0C869 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL15019849 1.00 LTA4H (0.52) LTA4HTHRATHRBPLA2G2ANPC1
SCHEMBL16295842 0.83 HRH3 (0.65) LTA4HTHRATHRBNPC1RAB9A
SCHEMBL9966857 0.83 LMNA (0.60) NPC1RAB9AHPGDTSHRMAPT
SCHEMBL27859193 0.82 MAPK1 (0.63) LTA4HTHRATHRBNPC1RAB9A
SCHEMBL15867095 0.82 LTA4H (0.55) LTA4HTHRATHRBPLA2G2ANPC1
SCHEMBL8603615 0.82 MAPK1 (0.63) LTA4HTHRATHRBNPC1RAB9A
SCHEMBL7297509 0.81 HRH3 (0.67) LTA4HTHRATHRBNPC1RAB9A
SCHEMBL13295220 0.81 LTA4H (0.51) LTA4HTHRATHRBPLA2G2ANPC1
SCHEMBL30020652 0.81 ADRB1 (0.57) LTA4HTHRATHRBPLA2G2ANPC1
SCHEMBL9579443 0.81 LTA4H (0.54) LTA4HTHRATHRBPLA2G2ANPC1

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