SCHEMBL9262199

SCHEMBL9262199

CCCC(=O)NCCCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.74
EPHX2 P34913 5/20 0.68
ADRA1A P35348 1/20 0.62
PRMT1 Q99873 1/20 0.61
PLA2G2A P14555 1/20 0.61
NAAA Q02083 1/20 0.58
KDM4E B2RXH2 1/20 0.58
PLA2G4A P47712 1/20 0.56
PPARG P37231 5/20 0.56
PPARD Q03181 5/20 0.56
PPARA Q07869 5/20 0.56
HDAC11 Q96DB2 4/20 0.56
TSHR P16473 3/20 0.56
GPR84 Q9NQS5 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
PTPN1 P18031 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56

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
SCHEMBL1289417 1.00 CASP2 (0.74) CASP2EPHX2ADRA1APRMT1PLA2G2A
SCHEMBL9830734 1.00 CASP2 (0.74) CASP2EPHX2ADRA1APRMT1PLA2G2A
SCHEMBL9830305 0.98 CASP2 (0.70) CASP2EPHX2ADRA1APRMT1PLA2G2A
Myristic Acid SCHEMBL20893594 0.96 CASP2 (0.81) CASP2EPHX2PLA2G2ANAAAKDM4E
SCHEMBL7749788 0.92 CASP2 (0.67) CASP2EPHX2ADRA1APRMT1PLA2G2A
SCHEMBL23052005 0.90 EPHX2 (0.81) CASP2EPHX2PLA2G2ANAAAKDM4E
SCHEMBL20844943 0.90 EPHX2 (0.76) CASP2EPHX2ADRA1APLA2G2ANAAA
SCHEMBL22072061 0.90 EPHX2 (0.81) CASP2EPHX2PLA2G2ANAAAKDM4E
SCHEMBL22684645 0.90 EPHX2 (0.81) CASP2EPHX2PLA2G2ANAAAKDM4E
SCHEMBL8041499 0.90 EPHX2 (0.81) CASP2EPHX2PLA2G2ANAAAKDM4E

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
CN-1028427-C Rhizoxin derivatives and their use as antitumor agents SANKYO CO (JP) 1995-05-17 CN disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
CN-1040982-A Nitragin (rhizoxin) derivative and as antineoplastic agent SANKYO CO (JP) 1990-04-04 CN disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed