SCHEMBL7305891

SCHEMBL7305891

CCCCCCCCOc1ccc(CO/N=C(\[C]=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 9/20 0.47
NR5A1 Q13285 1/20 0.46
RARB P10826 3/20 0.45
PLK1 P53350 1/20 0.45
LTA4H P09960 1/20 0.45
PLA2G4A P47712 1/20 0.43

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
SCHEMBL7305899 1.00 TP53 (0.48) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL7273325 0.91 NR5A1 (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL7273320 0.91 NR5A1 (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL7280319 0.82 TP53 (0.52) TP53TSHRPLA2G4BRARBPLK1
SCHEMBL7280327 0.82 TP53 (0.52) TP53TSHRPLA2G4BRARBPLK1
SCHEMBL7271647 0.79 TP53 (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL7271650 0.79 TP53 (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL28673435 0.75 TSHR (0.58) TP53TSHRPLA2G4BRARBPLK1
SCHEMBL7280292 0.74 NR5A1 (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL7280293 0.74 NR5A1 (0.56) 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
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 US 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