SCHEMBL7280580

SCHEMBL7280580

CCCCCCCOc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.60
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 5/20 0.52
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G4A P47712 1/20 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
SCHEMBL3067042 1.00 RARB (0.60) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL3683047 0.96 TP53 (0.57) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL7271786 0.93 TP53 (0.53) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL878923 0.92 HPGD (0.52) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL3683009 0.87 SMN1; SMN2 (0.55) TSHRTHRBLMNASMN1; SMN2
SCHEMBL7272065 0.86 RARB (0.55) RARBTP53TSHRPLA2G4BSMN1; SMN2
SCHEMBL7289886 0.86 THRA (0.54) RARBTP53TSHRPLA2G4BTHRA
SCHEMBL16217723 0.84 SMPD1 (0.52) RARB
SCHEMBL19750764 0.82 PLA2G2A (0.51) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL3684567 0.82 SMPD1 (0.57) TSHRPLA2G4BTHRATHRB

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