SCHEMBL9259832

SCHEMBL9259832

CC(C)CCC(=O)NCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.56
PRMT1 Q99873 1/20 0.55
EPHX2 P34913 3/20 0.54
ALDH1A1 P00352 1/20 0.48
PLA2G10 O15496 2/20 0.48
PLA2G2A P14555 1/20 0.47
CASP2 P42575 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM4C Q9H3R0 2/20 0.46
KDM4A O75164 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
MAPK1 P28482 1/20 0.46
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NAAA Q02083 1/20 0.44

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
SCHEMBL9789508 0.91 EPHX2 (0.56) ADRA1APRMT1EPHX2PLA2G10PLA2G2A
SCHEMBL599560 0.91 EPHX2 (0.56) ADRA1APRMT1EPHX2PLA2G10PLA2G2A
SCHEMBL8576664 0.91 EPHX2 (0.56) ADRA1APRMT1EPHX2PLA2G10PLA2G2A
SCHEMBL16689691 0.87 ALDH1A1 (0.53) ALDH1A1CASP2KDM4EKDM4CKDM4A
SCHEMBL22851659 0.87 ALDH1A1 (0.53) ALDH1A1CASP2KDM4EKDM4CKDM4A
SCHEMBL18768756 0.87 ALDH1A1 (0.53) ALDH1A1CASP2KDM4EKDM4CKDM4A
SCHEMBL21675625 0.86 KDM4C (0.50) ADRA1APRMT1EPHX2ALDH1A1PLA2G10
SCHEMBL10174293 0.86 LMNA (0.51) ADRA1APRMT1EPHX2ALDH1A1PLA2G10
SCHEMBL19239788 0.85 ALDH1A1 (0.52) EPHX2ALDH1A1CASP2KDM4CNAMPT
SCHEMBL16399076 0.85 ALDH1A1 (0.55) ALDH1A1PLA2G10KDM4CKDM4APHF8

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