SCHEMBL7341007

SCHEMBL7341007

CCCCCCCCOc1ccc(C(=N)NO)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 1/20 0.58
NR5A1 Q13285 1/20 0.57
RARB P10826 3/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PPARG P37231 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
PRMT1 Q99873 3/20 0.53
F2 P00734 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
PLAU P00749 1/20 0.53
PRMT5 O14744 1/20 0.53
SLC22A2 O15244 1/20 0.53

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
SCHEMBL15020066 1.00 TP53 (0.59) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL6510086 1.00 TP53 (0.59) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL8718224 0.98 TP53 (0.57) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL6407420 0.95 MMP1 (0.56) TP53TSHRPLA2G4BGAARAB9A
Pentamidine Dao SCHEMBL548448 0.92 PRMT1 (0.61) GAAPRMT1F2ST14PLAU
SCHEMBL548439 0.90 PRSS1 (0.60) GAAPRMT1F2ST14PLAU
SCHEMBL3275310 0.88 PLK1 (0.56) MAPTTMPRSS2CYP2D6
SCHEMBL549185 0.86 TMPRSS2 (0.60) PRMT1F2ST14PLAUPRMT5
SCHEMBL6956710 0.86 TP53 (0.58) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL6957533 0.86 TP53 (0.58) TP53TSHRPLA2G4BNR5A1RARB

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