SCHEMBL7273154

SCHEMBL7273154

CCCCCCCCOc1ccc(C(=O)ON2C(=O)CCC2=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
SMPD1 P17405 5/20 0.53
PLA2G4B P0C869 1/20 0.51
PDE4B Q07343 2/20 0.51
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MGLL Q99685 1/20 0.47
PRSS1 P07477 2/20 0.47
TSHR P16473 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
SCHEMBL11038736 0.84 TSHR (0.53) PDE4BTSHR
SCHEMBL29171438 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL14930509 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL29171419 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL29171407 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL29171445 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL29171439 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL29171402 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL9307505 0.81 SMPD1 (0.67) THRATHRBSMPD1PLA2G4BMGLL
SCHEMBL3683047 0.81 TP53 (0.57) THRATHRBPLA2G4BTSHR

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