SCHEMBL9256918

SCHEMBL9256918

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.76
CNR1 P21554 2/20 0.76
CNR2 P34972 2/20 0.76
PLA2G2A P14555 1/20 0.68
EPHX2 P34913 3/20 0.68
DNM1 Q05193 1/20 0.62
KDM4E B2RXH2 1/20 0.62
CASP2 P42575 1/20 0.62
PPARG P37231 4/20 0.61
PPARD Q03181 4/20 0.61
PPARA Q07869 4/20 0.61
TSHR P16473 3/20 0.61
GPR84 Q9NQS5 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
TLR2 O60603 1/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL532448 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL4000461 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL531436 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL9828949 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL9193102 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL3990517 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL5964111 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL31529340 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL7147169 1.00 FAAH (0.76) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL688844 0.98 FAAH (0.73) FAAHCNR1CNR2PLA2G2AEPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed