SCHEMBL7271647

SCHEMBL7271647

CCCCCCCCOc1ccc(/C([C]=O)=N\OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 6/20 0.55
RARB P10826 3/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PLA2G4A P47712 1/20 0.50
NR5A1 Q13285 1/20 0.50
SLC2A1 P11166 2/20 0.49
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48

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
SCHEMBL7271650 1.00 TP53 (0.56) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL7273325 0.81 NR5A1 (0.56) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL7273320 0.81 NR5A1 (0.56) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL7305899 0.79 TP53 (0.48) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7305891 0.79 TP53 (0.48) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7271374 0.78 TP53 (0.64) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL7271369 0.78 TP53 (0.64) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL2847927 0.74 TP53 (0.77) TP53TSHRPLA2G4BRARBGAA
SCHEMBL533825 0.74 TP53 (0.77) TP53TSHRPLA2G4BRARBGAA
SCHEMBL6705357 0.74 TP53 (0.77) TP53TSHRPLA2G4BRARBGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed