SCHEMBL9265462

SCHEMBL9265462

CCC(=O)NCCCCCCCCCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ ADRA1A P35348 1/20 0.64
▸ PRMT1 Q99873 1/20 0.63
▸ EPHX2 P34913 8/20 0.60
▸ PLA2G2A P14555 1/20 0.58
▸ CASP2 P42575 1/20 0.53
▸ PLA2G4A P47712 1/20 0.53
▸ PPARG P37231 3/20 0.52
▸ PPARD Q03181 3/20 0.52
▸ PPARA Q07869 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ GPR84 Q9NQS5 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ TLR2 O60603 1/20 0.52
▸ ESR1 P03372 1/20 0.52

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
SCHEMBL20009655 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL19400283 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL5522638 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL19400289 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL45902 0.98 MEN1 (0.74) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL1912627 0.91 MEN1 (0.70) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL9259257 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL21765846 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL11758762 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL9262199 0.86 CASP2 (0.74) MEN1KMT2AADRA1APRMT1EPHX2

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
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