SCHEMBL7278779

SCHEMBL7278779

CCCCCCCCOc1ccc(CON=C(C(=O)ON2C(=O)CCC2=O)c2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
PLA2G4B P0C869 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 6/20 0.41
S1PR3 Q99500 4/20 0.41
LTA4H P09960 1/20 0.41
RARB P10826 3/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL7278775 1.00 NR5A1 (0.45) NR5A1PLA2G4BTP53TSHRS1PR1
SCHEMBL7271288 0.93 ALOX12 (0.44) PLA2G4BTP53TSHRS1PR1S1PR5
SCHEMBL7271292 0.93 ALOX12 (0.44) PLA2G4BTP53TSHRS1PR1S1PR5
SCHEMBL7282536 0.85 TP53 (0.48) PLA2G4BTP53TSHRRARB
SCHEMBL7282538 0.85 TP53 (0.48) PLA2G4BTP53TSHRRARB
SCHEMBL7280292 0.82 NR5A1 (0.56) NR5A1PLA2G4BTP53TSHRLTA4H
SCHEMBL7280293 0.82 NR5A1 (0.56) NR5A1PLA2G4BTP53TSHRLTA4H
SCHEMBL7278956 0.77 S1PR5 (0.43) NR5A1PLA2G4BTP53TSHRS1PR1
SCHEMBL7278957 0.77 S1PR5 (0.43) NR5A1PLA2G4BTP53TSHRS1PR1
SCHEMBL3683047 0.76 TP53 (0.57) PLA2G4BTP53TSHRRARB

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