SCHEMBL7280293

SCHEMBL7280293

CCCCCCCCOc1ccc(CON=C(C(=O)O)c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 8/20 0.53
RARB P10826 3/20 0.51
LTA4H P09960 1/20 0.50
PLA2G4A P47712 1/20 0.49
ABCG2 Q9UNQ0 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
SCHEMBL7280292 1.00 NR5A1 (0.56) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7280327 0.92 TP53 (0.52) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7280319 0.92 TP53 (0.52) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7278779 0.82 NR5A1 (0.45) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7278775 0.82 NR5A1 (0.45) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7273325 0.81 NR5A1 (0.56) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7273320 0.81 NR5A1 (0.56) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL7271369 0.81 TP53 (0.64) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7271374 0.81 TP53 (0.64) TP53TSHRPLA2G4BRARBPLA2G4A
Hydroquinone SCHEMBL8446920 0.78 TP53 (0.88) NR5A1TP53TSHRPLA2G4BRARB

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