SCHEMBL7333979

SCHEMBL7333979

CCCCCCCCOc1ccc(N2CCN(c3ccc(C(=O)OC)cn3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MAPT P10636 4/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 1/20 0.51
PLA2G2A P14555 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL7342988 1.00 KMT2A (0.65) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7340490 0.93 KMT2A (0.66) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7332750 0.92 KMT2A (0.65) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7333300 0.89 TSHR (0.59) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7331983 0.89 TSHR (0.59) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7615805 0.83 KMT2A (0.55) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7340806 0.81 KMT2A (0.79) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL9211056 0.79 KMT2A (1.00) KMT2ANPC1RAB9AMAPTTSHR
SCHEMBL7339141 0.79 TSHR (0.76) MAPTTSHRHPGDTAAR1HSD17B10
SCHEMBL8780364 0.79 MGAM (0.66) KMT2ANPC1RAB9AMAPTTSHR

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